Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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5-Iodocytidine, 99%

CAS: 1147-23-5 Molecular Formula: C9H12IN3O5 Molecular Weight (g/mol): 369.115 MDL Number: MFCD00056070 InChI Key: LQQGJDJXUSAEMZ-UAKXSSHOSA-N Synonym: 5-iodocytidine,5-iodo-cytidine,iodocytidine,cytidine, 5-iodo,4-amino-1-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-5-iodopyrimidin-2 1h-one,4-amino-1-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl oxolan-2-yl-5-iodopyrimidin-2-one,5-i-cytidine,5-iodo-d-cytidine,pubchem11079,5-ic PubChem CID: 159359 IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one SMILES: C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)I

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Specifications

PubChem CID	159359
CAS	1147-23-5
Molecular Weight (g/mol)	369.115
MDL Number	MFCD00056070
SMILES	C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)I
Synonym	5-iodocytidine,5-iodo-cytidine,iodocytidine,cytidine, 5-iodo,4-amino-1-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-5-iodopyrimidin-2 1h-one,4-amino-1-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl oxolan-2-yl-5-iodopyrimidin-2-one,5-i-cytidine,5-iodo-d-cytidine,pubchem11079,5-ic
IUPAC Name	4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
InChI Key	LQQGJDJXUSAEMZ-UAKXSSHOSA-N
Molecular Formula	C9H12IN3O5

(+/-)-2-Pyrrolidinone-5-carboxylic acid, 99%

CAS: 149-87-1 Molecular Formula: C5H7NO3 Molecular Weight (g/mol): 129.12 MDL Number: MFCD00064322 InChI Key: ODHCTXKNWHHXJC-UHFFFAOYNA-N Synonym: dl-pyroglutamic acid,2-pyrrolidone-5-carboxylic acid,dl-proline, 5-oxo,5-oxo-dl-proline,pyroglutamate,h-dl-pyr-oh,pyrrolidonecarboxylic acid,5-oxoprolinate,d-+-pyroglutamic acid,dl-pidolic acid PubChem CID: 499 ChEBI: CHEBI:16010 IUPAC Name: 5-oxopyrrolidine-2-carboxylic acid SMILES: OC(=O)C1CCC(=O)N1

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Specifications

PubChem CID	499
CAS	149-87-1
Molecular Weight (g/mol)	129.12
ChEBI	CHEBI:16010
MDL Number	MFCD00064322
SMILES	OC(=O)C1CCC(=O)N1
Synonym	dl-pyroglutamic acid,2-pyrrolidone-5-carboxylic acid,dl-proline, 5-oxo,5-oxo-dl-proline,pyroglutamate,h-dl-pyr-oh,pyrrolidonecarboxylic acid,5-oxoprolinate,d-+-pyroglutamic acid,dl-pidolic acid
IUPAC Name	5-oxopyrrolidine-2-carboxylic acid
InChI Key	ODHCTXKNWHHXJC-UHFFFAOYNA-N
Molecular Formula	C5H7NO3

Thermo Scientific Chemicals Uridine-5'-monophosphate disodium salt, 99%

CAS: 3387-36-8 Molecular Formula: C9H11N2Na2O9P Molecular Weight (g/mol): 368.15 MDL Number: MFCD00149422 InChI Key: KURVIXMFFSNONZ-IJRYJGAHNA-L Synonym: uridine-5'-monophosphate disodium salt,uridine 5'-monophosphate, disodium salt,5'-uridylicaciddisodiumsalt PubChem CID: 123134060 IUPAC Name: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;sodium SMILES: [Na+].[Na+].O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)N1C=CC(=O)NC1=O

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Specifications

PubChem CID	123134060
CAS	3387-36-8
Molecular Weight (g/mol)	368.15
MDL Number	MFCD00149422
SMILES	[Na+].[Na+].O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)N1C=CC(=O)NC1=O
Synonym	uridine-5'-monophosphate disodium salt,uridine 5'-monophosphate, disodium salt,5'-uridylicaciddisodiumsalt
IUPAC Name	[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;sodium
InChI Key	KURVIXMFFSNONZ-IJRYJGAHNA-L
Molecular Formula	C9H11N2Na2O9P

Thermo Scientific Chemicals Adenosine-5'-diphosphate monopotassium salt dihydrate, 99%

CAS: 72696-48-1 Molecular Formula: C10H14KN5O10P2 Molecular Weight (g/mol): 465.29 MDL Number: MFCD00066472 InChI Key: ZNCWUOPIJTUALR-GWKNMROSNA-M Synonym: adenosine 5-diphosphate monopotassium salt dihydrate PubChem CID: 131675483 IUPAC Name: potassium;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-olate;dihydrate SMILES: [K+].NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)([O-])=O)[C@@H](O)[C@H]3O)C2=NC=N1

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Specifications

PubChem CID	131675483
CAS	72696-48-1
Molecular Weight (g/mol)	465.29
MDL Number	MFCD00066472
SMILES	[K+].NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)([O-])=O)[C@@H](O)[C@H]3O)C2=NC=N1
Synonym	adenosine 5-diphosphate monopotassium salt dihydrate
IUPAC Name	potassium;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-olate;dihydrate
InChI Key	ZNCWUOPIJTUALR-GWKNMROSNA-M
Molecular Formula	C10H14KN5O10P2

Thermo Scientific Chemicals 2'-Deoxyuridine-5'-monophosphate disodium salt, 99%

CAS: 42155-08-8 Molecular Formula: C9H13N2Na2O8P Molecular Weight (g/mol): 354.162 MDL Number: MFCD00065282 InChI Key: CWTUMDATELIIAI-CDNBRZBRSA-N Synonym: 2'-deoxyuridine 5'-monophosphate disodium salt PubChem CID: 129893468 IUPAC Name: [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;sodium SMILES: C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O.[Na].[Na]

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Specifications

PubChem CID	129893468
CAS	42155-08-8
Molecular Weight (g/mol)	354.162
MDL Number	MFCD00065282
SMILES	C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O.[Na].[Na]
Synonym	2'-deoxyuridine 5'-monophosphate disodium salt
IUPAC Name	[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;sodium
InChI Key	CWTUMDATELIIAI-CDNBRZBRSA-N
Molecular Formula	C9H13N2Na2O8P

Ethyl (S)-(+)-2-pyrrolidone-5-carboxylate, 99%

CAS: 7149-65-7 Molecular Formula: C₇H₁₁NO₃ Molecular Weight (g/mol): 157.16 MDL Number: MFCD00064497 InChI Key: QYJOOVQLTTVTJY-YFKPBYRVSA-N Synonym: l-pyroglutamic acid ethyl ester,ethyl s-+-2-pyrrolidone-5-carboxylate,s-ethyl 5-oxopyrrolidine-2-carboxylate,ethyl 2s-5-oxopyrrolidine-2-carboxylate,ethyl l-pyroglutamate,ethyl pidolate,h-pyr-oet,ethyl 5-oxo-l-prolinate,ethyl pyroglutamate,unii-1ps59es316 PubChem CID: 2724446 IUPAC Name: ethyl (2S)-5-oxopyrrolidine-2-carboxylate SMILES: CCOC(=O)C1CCC(=O)N1

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Specifications

PubChem CID	2724446
CAS	7149-65-7
Molecular Weight (g/mol)	157.16
MDL Number	MFCD00064497
SMILES	CCOC(=O)C1CCC(=O)N1
Synonym	l-pyroglutamic acid ethyl ester,ethyl s-+-2-pyrrolidone-5-carboxylate,s-ethyl 5-oxopyrrolidine-2-carboxylate,ethyl 2s-5-oxopyrrolidine-2-carboxylate,ethyl l-pyroglutamate,ethyl pidolate,h-pyr-oet,ethyl 5-oxo-l-prolinate,ethyl pyroglutamate,unii-1ps59es316
IUPAC Name	ethyl (2S)-5-oxopyrrolidine-2-carboxylate
InChI Key	QYJOOVQLTTVTJY-YFKPBYRVSA-N
Molecular Formula	C₇H₁₁NO₃

Thermo Scientific Chemicals D-Ribose-5-phosphate barium salt hexahydrate, 99%

CAS: 15673-79-7 Molecular Formula: C5H9BaO8P Molecular Weight (g/mol): 365.42 MDL Number: MFCD00047534 InChI Key: VNFDCDZWBYRPMC-QHEAFLAXSA-L PubChem CID: 123134315 SMILES: [Ba++].OC1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O

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Specifications

PubChem CID	123134315
CAS	15673-79-7
Molecular Weight (g/mol)	365.42
MDL Number	MFCD00047534
SMILES	[Ba++].OC1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O
InChI Key	VNFDCDZWBYRPMC-QHEAFLAXSA-L
Molecular Formula	C5H9BaO8P

Thermo Scientific Chemicals 2'-Deoxyguanosine 5'-monophosphate, sodium salt hydrate, 99%

CAS: 52558-16-4 Molecular Formula: C10H12N5Na2O7P Molecular Weight (g/mol): 391.19 MDL Number: MFCD00150780 InChI Key: CTPAMSRBXKGZCJ-WJQTVUBHNA-L Synonym: deoxyguanosine monophosphate tetrahydrate sodium salt PubChem CID: 131854716 IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;sodium;tetrahydrate SMILES: [Na+].[Na+].NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)C(=O)N1

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Specifications

PubChem CID	131854716
CAS	52558-16-4
Molecular Weight (g/mol)	391.19
MDL Number	MFCD00150780
SMILES	[Na+].[Na+].NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)C(=O)N1
Synonym	deoxyguanosine monophosphate tetrahydrate sodium salt
IUPAC Name	[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;sodium;tetrahydrate
InChI Key	CTPAMSRBXKGZCJ-WJQTVUBHNA-L
Molecular Formula	C10H12N5Na2O7P

N-Boc-L-glutamic acid 5-tert-butyl ester, 99%

CAS: 13726-84-6 Molecular Formula: C14H25NO6 Molecular Weight (g/mol): 303.355 MDL Number: MFCD00038257 InChI Key: YGSRAYJBEREVRB-VIFPVBQESA-N Synonym: boc-glu otbu-oh,boc-l-glu otbu-oh,s-5-tert-butoxy-2-tert-butoxycarbonyl amino-5-oxopentanoic acid,boc-l-glutamic acid 5-tert-butyl ester,n-boc-l-glutamic acid 5-tert-butyl ester,n-tert-butoxycarbonyl-l-glutamic acid gamma-tert-butyl ester,2s-5-tert-butoxy-2-tert-butoxycarbonyl amino-5-oxopentanoic acid,boc-glu otbu,ambotzbaa1297,pubchem18923 PubChem CID: 6993432 IUPAC Name: (2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid SMILES: CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C

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Specifications

PubChem CID	6993432
CAS	13726-84-6
Molecular Weight (g/mol)	303.355
MDL Number	MFCD00038257
SMILES	CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C
Synonym	boc-glu otbu-oh,boc-l-glu otbu-oh,s-5-tert-butoxy-2-tert-butoxycarbonyl amino-5-oxopentanoic acid,boc-l-glutamic acid 5-tert-butyl ester,n-boc-l-glutamic acid 5-tert-butyl ester,n-tert-butoxycarbonyl-l-glutamic acid gamma-tert-butyl ester,2s-5-tert-butoxy-2-tert-butoxycarbonyl amino-5-oxopentanoic acid,boc-glu otbu,ambotzbaa1297,pubchem18923
IUPAC Name	(2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
InChI Key	YGSRAYJBEREVRB-VIFPVBQESA-N
Molecular Formula	C14H25NO6

(R)-(-)-2-Amino-5-phosphonopentanoic acid, 99%, Thermo Scientific Chemicals

CAS: 79055-68-8 Molecular Formula: C5H12NO5P Molecular Weight (g/mol): 197.127 MDL Number: MFCD00078839 InChI Key: VOROEQBFPPIACJ-SCSAIBSYSA-N Synonym: d-ap5,5-phosphono-d-norvaline,d-norvaline, 5-phosphono,d-apv,2r-2-amino-5-phosphonopentanoic acid,d-2-amino-5-phosphopentanoic acid,d---2-amino-5-phosphonopentanoic acid,d--apv,d-2-amino-5-phosphonovaleric acid,d--ap-5 PubChem CID: 135342 IUPAC Name: (2R)-2-amino-5-phosphonopentanoic acid SMILES: C(CC(C(=O)O)N)CP(=O)(O)O

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Specifications

PubChem CID	135342
CAS	79055-68-8
Molecular Weight (g/mol)	197.127
MDL Number	MFCD00078839
SMILES	C(CC(C(=O)O)N)CP(=O)(O)O
Synonym	d-ap5,5-phosphono-d-norvaline,d-norvaline, 5-phosphono,d-apv,2r-2-amino-5-phosphonopentanoic acid,d-2-amino-5-phosphopentanoic acid,d---2-amino-5-phosphonopentanoic acid,d--apv,d-2-amino-5-phosphonovaleric acid,d--ap-5
IUPAC Name	(2R)-2-amino-5-phosphonopentanoic acid
InChI Key	VOROEQBFPPIACJ-SCSAIBSYSA-N
Molecular Formula	C5H12NO5P

2,3-Diphenyl-2-cyclopropen-1-one, 99% (dry wt.), may cont up to 5% water

CAS: 886-38-4 Molecular Formula: C15H10O Molecular Weight (g/mol): 206.24 MDL Number: MFCD00001311 InChI Key: HCIBTBXNLVOFER-UHFFFAOYSA-N Synonym: diphenylcyclopropenone,diphencyprone,2,3-diphenylcyclopropenone,2,3-diphenylcycloprop-2-enone,cyclopropenone, diphenyl,dpcp,2-cyclopropen-1-one, 2,3-diphenyl,1,2-diphenylcyclopropen-3-one,cyclopropenone, 2,3-diphenyl,unii-i7g14nw5ec PubChem CID: 65057 ChEBI: CHEBI:53074 IUPAC Name: 2,3-diphenylcycloprop-2-en-1-one SMILES: O=C1C(=C1C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	65057
CAS	886-38-4
Molecular Weight (g/mol)	206.24
ChEBI	CHEBI:53074
MDL Number	MFCD00001311
SMILES	O=C1C(=C1C1=CC=CC=C1)C1=CC=CC=C1
Synonym	diphenylcyclopropenone,diphencyprone,2,3-diphenylcyclopropenone,2,3-diphenylcycloprop-2-enone,cyclopropenone, diphenyl,dpcp,2-cyclopropen-1-one, 2,3-diphenyl,1,2-diphenylcyclopropen-3-one,cyclopropenone, 2,3-diphenyl,unii-i7g14nw5ec
IUPAC Name	2,3-diphenylcycloprop-2-en-1-one
InChI Key	HCIBTBXNLVOFER-UHFFFAOYSA-N
Molecular Formula	C15H10O

Thermo Scientific Chemicals N-Carbobenzyloxy-L-phenylalanine, 99+%

CAS: 1161-13-3 Molecular Formula: C17H17NO4 Molecular Weight (g/mol): 299.33 MDL Number: MFCD00020418 InChI Key: RRONHWAVOYADJL-HNNXBMFYSA-N Synonym: z-phe-oh,n-cbz-l-phenylalanine,carbobenzoxyphenylalanine,cbz-phe-oh,n-carbobenzoxy-l-phenylalanine,carbobenzoxy-l-phenylalanine,z-l-phenylalanine,benzyloxycarbonyl phenylalanine,n-carbobenzyloxy-l-phenylalanine PubChem CID: 70878 IUPAC Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid SMILES: OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1

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Specifications

PubChem CID	70878
CAS	1161-13-3
Molecular Weight (g/mol)	299.33
MDL Number	MFCD00020418
SMILES	OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1
Synonym	z-phe-oh,n-cbz-l-phenylalanine,carbobenzoxyphenylalanine,cbz-phe-oh,n-carbobenzoxy-l-phenylalanine,carbobenzoxy-l-phenylalanine,z-l-phenylalanine,benzyloxycarbonyl phenylalanine,n-carbobenzyloxy-l-phenylalanine
IUPAC Name	(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
InChI Key	RRONHWAVOYADJL-HNNXBMFYSA-N
Molecular Formula	C17H17NO4

2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl-3-carboxylic acid, 99%

CAS: 2154-67-8 Molecular Formula: C₉H₁₄NO₃ Molecular Weight (g/mol): 184.22 MDL Number: MFCD00041847 Synonym: 3-Carboxy-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy

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Specifications

CAS	2154-67-8
Molecular Weight (g/mol)	184.22
MDL Number	MFCD00041847
Synonym	3-Carboxy-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy
Molecular Formula	C₉H₁₄NO₃

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Glycerol, 99.5%, MilliporeSigma™

CAS: 56-81-5 Molecular Formula: C3H8O3 Molecular Weight (g/mol): 92.09 InChI Key: PEDCQBHIVMGVHV-UHFFFAOYSA-N IUPAC Name: propane-1,2,3-triol SMILES: OCC(O)CO

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Specifications

CAS	56-81-5
Molecular Weight (g/mol)	92.09
SMILES	OCC(O)CO
IUPAC Name	propane-1,2,3-triol
InChI Key	PEDCQBHIVMGVHV-UHFFFAOYSA-N
Molecular Formula	C3H8O3

Methyl 2-isothiocyanatoacetate, 98%

CAS: 21055-37-8 Molecular Formula: C4H5NO2S Molecular Weight (g/mol): 131.149 MDL Number: MFCD00041119 InChI Key: GOWGDPFDGIPFIK-UHFFFAOYSA-N Synonym: methyl isothiocyanatoacetate,acetic acid, isothiocyanato-, methyl ester,acmc-20akih,propargyl benzene sulphonate,methyl-2-isothiocyanatoacetate,methyl isothiocyanatoacetate #,methyl 2-isothiocyanatoethanoate,methyl n-thioxomethylene glycinate,isothiocyanatoacetic acid methyl ester,2-isothiocyanatoacetic acid methyl ester PubChem CID: 140795 IUPAC Name: methyl 2-isothiocyanatoacetate SMILES: COC(=O)CN=C=S

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Specifications

PubChem CID	140795
CAS	21055-37-8
Molecular Weight (g/mol)	131.149
MDL Number	MFCD00041119
SMILES	COC(=O)CN=C=S
Synonym	methyl isothiocyanatoacetate,acetic acid, isothiocyanato-, methyl ester,acmc-20akih,propargyl benzene sulphonate,methyl-2-isothiocyanatoacetate,methyl isothiocyanatoacetate #,methyl 2-isothiocyanatoethanoate,methyl n-thioxomethylene glycinate,isothiocyanatoacetic acid methyl ester,2-isothiocyanatoacetic acid methyl ester
IUPAC Name	methyl 2-isothiocyanatoacetate
InChI Key	GOWGDPFDGIPFIK-UHFFFAOYSA-N
Molecular Formula	C4H5NO2S

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