Organic acids and derivatives
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2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl Fluoride 98.0+%, TCI America™
CAS: 3934-29-0 Molecular Formula: C14H19FO9 Molecular Weight (g/mol): 350.30 MDL Number: MFCD00792705 InChI Key: JJXATNWYELAACC-UHFFFAOYNA-N PubChem CID: 11142654 IUPAC Name: [3,4,5-tris(acetyloxy)-6-fluorooxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(F)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
| PubChem CID | 11142654 |
|---|---|
| CAS | 3934-29-0 |
| Molecular Weight (g/mol) | 350.30 |
| MDL Number | MFCD00792705 |
| SMILES | CC(=O)OCC1OC(F)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| IUPAC Name | [3,4,5-tris(acetyloxy)-6-fluorooxan-2-yl]methyl acetate |
| InChI Key | JJXATNWYELAACC-UHFFFAOYNA-N |
| Molecular Formula | C14H19FO9 |
Methylxylenol Blue 85.0+%, TCI America™
CAS: 29412-85-9 Molecular Formula: C25H29N2NaO13S Molecular Weight (g/mol): 620.558 MDL Number: MFCD00065250 InChI Key: VYPGOJHOWVUMIQ-UHFFFAOYSA-M PubChem CID: 131674796 IUPAC Name: sodium;2-[[5-[3-[[bis(carboxymethyl)amino]methyl]-2,2-dioxo-1,2$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3,6-dimethylphenyl]methyl-(carboxymethyl)amino]acetate;hydrate SMILES: CC1=C(C(=C(C(=C1)C2(C3=CC=CC=C3OS2(=O)=O)CN(CC(=O)O)CC(=O)O)C)CN(CC(=O)O)CC(=O)[O-])O.O.[Na+]
| PubChem CID | 131674796 |
|---|---|
| CAS | 29412-85-9 |
| Molecular Weight (g/mol) | 620.558 |
| MDL Number | MFCD00065250 |
| SMILES | CC1=C(C(=C(C(=C1)C2(C3=CC=CC=C3OS2(=O)=O)CN(CC(=O)O)CC(=O)O)C)CN(CC(=O)O)CC(=O)[O-])O.O.[Na+] |
| IUPAC Name | sodium;2-[[5-[3-[[bis(carboxymethyl)amino]methyl]-2,2-dioxo-1,2$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3,6-dimethylphenyl]methyl-(carboxymethyl)amino]acetate;hydrate |
| InChI Key | VYPGOJHOWVUMIQ-UHFFFAOYSA-M |
| Molecular Formula | C25H29N2NaO13S |
1,2,4,5-Cyclohexanetetracarboxylic Acid 98.0+%, TCI America™
CAS: 15383-49-0 Molecular Formula: C10H12O8 Molecular Weight (g/mol): 260.198 MDL Number: MFCD00435556 InChI Key: ZPAKUZKMGJJMAA-UHFFFAOYSA-N PubChem CID: 2834946 IUPAC Name: cyclohexane-1,2,4,5-tetracarboxylic acid SMILES: C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 2834946 |
|---|---|
| CAS | 15383-49-0 |
| Molecular Weight (g/mol) | 260.198 |
| MDL Number | MFCD00435556 |
| SMILES | C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | cyclohexane-1,2,4,5-tetracarboxylic acid |
| InChI Key | ZPAKUZKMGJJMAA-UHFFFAOYSA-N |
| Molecular Formula | C10H12O8 |
Pentaerythritol Tetrakis(mercaptoacetate) 95.0+%, TCI America™
CAS: 10193-99-4 Molecular Formula: C13H20O8S4 Molecular Weight (g/mol): 432.535 MDL Number: MFCD00022080 InChI Key: RUDUCNPHDIMQCY-UHFFFAOYSA-N Synonym: Pentaerythritol Tetrathioglycolate PubChem CID: 82441 IUPAC Name: [3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate SMILES: C(C(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)S
| PubChem CID | 82441 |
|---|---|
| CAS | 10193-99-4 |
| Molecular Weight (g/mol) | 432.535 |
| MDL Number | MFCD00022080 |
| SMILES | C(C(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)S |
| Synonym | Pentaerythritol Tetrathioglycolate |
| IUPAC Name | [3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate |
| InChI Key | RUDUCNPHDIMQCY-UHFFFAOYSA-N |
| Molecular Formula | C13H20O8S4 |
1,2,3,4-Cyclopentanetetracarboxylic Dianhydride 98.0+%, TCI America™
CAS: 6053-68-5 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.141 MDL Number: MFCD00046872 InChI Key: NLWBEORDOPDUPM-UHFFFAOYSA-N PubChem CID: 110757 SMILES: C1C2C(C3C1C(=O)OC3=O)C(=O)OC2=O
| PubChem CID | 110757 |
|---|---|
| CAS | 6053-68-5 |
| Molecular Weight (g/mol) | 210.141 |
| MDL Number | MFCD00046872 |
| SMILES | C1C2C(C3C1C(=O)OC3=O)C(=O)OC2=O |
| InChI Key | NLWBEORDOPDUPM-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |
Trisodium Hydrogen Ethylenediaminetetraacetate Hydrate 98.0+%, TCI America™
CAS: 85715-60-2 Molecular Formula: C10H13N2Na3O8 Molecular Weight (g/mol): 358.19 MDL Number: MFCD00149675 InChI Key: QZKRHPLGUJDVAR-UHFFFAOYSA-K Synonym: trisodium hydrogen ethylenediaminetetraacetate hydrate,tricon bw,unii-zmn5a047nl,endrate,edta triasodium salt,zmn5a047nl,ethylenediaminetetraacetic acid trisodium salt hydrate,sequestrene sodium 3,trisodium edta monohydrate,edetate trisodium monohydrate PubChem CID: 16211179 IUPAC Name: trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate SMILES: [Na+].[Na+].[Na+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 16211179 |
|---|---|
| CAS | 85715-60-2 |
| Molecular Weight (g/mol) | 358.19 |
| MDL Number | MFCD00149675 |
| SMILES | [Na+].[Na+].[Na+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O |
| Synonym | trisodium hydrogen ethylenediaminetetraacetate hydrate,tricon bw,unii-zmn5a047nl,endrate,edta triasodium salt,zmn5a047nl,ethylenediaminetetraacetic acid trisodium salt hydrate,sequestrene sodium 3,trisodium edta monohydrate,edetate trisodium monohydrate |
| IUPAC Name | trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate |
| InChI Key | QZKRHPLGUJDVAR-UHFFFAOYSA-K |
| Molecular Formula | C10H13N2Na3O8 |
Ethylenediaminetetraacetic Dianhydride 98.0+%, TCI America™
CAS: 23911-25-3 Molecular Formula: C10H12N2O6 Molecular Weight (g/mol): 256.214 MDL Number: MFCD00074963 InChI Key: POLIXZIAIMAECK-UHFFFAOYSA-N PubChem CID: 513917 IUPAC Name: 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione SMILES: C1C(=O)OC(=O)CN1CCN2CC(=O)OC(=O)C2
| PubChem CID | 513917 |
|---|---|
| CAS | 23911-25-3 |
| Molecular Weight (g/mol) | 256.214 |
| MDL Number | MFCD00074963 |
| SMILES | C1C(=O)OC(=O)CN1CCN2CC(=O)OC(=O)C2 |
| IUPAC Name | 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione |
| InChI Key | POLIXZIAIMAECK-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O6 |
(+)-Dibenzoyl-D-tartaric Acid 98.0+%, TCI America™
CAS: 17026-42-5 Molecular Formula: C18H14O8 Molecular Weight (g/mol): 358.30 MDL Number: MFCD00063222 InChI Key: YONLFQNRGZXBBF-ZCWZLOQUNA-N Synonym: dibenzoyl-d-tartaric acid,+-dibenzoyl-d-tartaric acid,2s,3s-2,3-bis benzoyloxy succinic acid,d-dibenzoyl tartaric acid,butanedioic acid, 2,3-bis benzoyloxy-, 2s,3s,+-o,o-dibenzoyltartaric acid,2s,3s-+-dibenzoyltartaric acid,+-dibenzoyltartaric acid,+-dibenzoyl tartaric acid PubChem CID: 1550213 IUPAC Name: (2S,3S)-2,3-bis(benzoyloxy)butanedioic acid SMILES: OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C1=CC=CC=C1)C(O)=O
| PubChem CID | 1550213 |
|---|---|
| CAS | 17026-42-5 |
| Molecular Weight (g/mol) | 358.30 |
| MDL Number | MFCD00063222 |
| SMILES | OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C1=CC=CC=C1)C(O)=O |
| Synonym | dibenzoyl-d-tartaric acid,+-dibenzoyl-d-tartaric acid,2s,3s-2,3-bis benzoyloxy succinic acid,d-dibenzoyl tartaric acid,butanedioic acid, 2,3-bis benzoyloxy-, 2s,3s,+-o,o-dibenzoyltartaric acid,2s,3s-+-dibenzoyltartaric acid,+-dibenzoyltartaric acid,+-dibenzoyl tartaric acid |
| IUPAC Name | (2S,3S)-2,3-bis(benzoyloxy)butanedioic acid |
| InChI Key | YONLFQNRGZXBBF-ZCWZLOQUNA-N |
| Molecular Formula | C18H14O8 |
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid 97.0+%, TCI America™
CAS: 60239-18-1 Molecular Formula: C16H28N4O8 Molecular Weight (g/mol): 404.42 MDL Number: MFCD00068657 InChI Key: WDLRUFUQRNWCPK-UHFFFAOYSA-N Synonym: DOTA PubChem CID: 121841 ChEBI: CHEBI:61028 IUPAC Name: 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid SMILES: C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
| PubChem CID | 121841 |
|---|---|
| CAS | 60239-18-1 |
| Molecular Weight (g/mol) | 404.42 |
| ChEBI | CHEBI:61028 |
| MDL Number | MFCD00068657 |
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O |
| Synonym | DOTA |
| IUPAC Name | 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| InChI Key | WDLRUFUQRNWCPK-UHFFFAOYSA-N |
| Molecular Formula | C16H28N4O8 |
1,3,4,6-Tetra-O-acetyl-2-azido-2-deoxy-alpha-D-mannopyranose 98.0+%, TCI America™
CAS: 68733-20-0 Molecular Formula: C14H19N3O9 Molecular Weight (g/mol): 373.318 MDL Number: MFCD01321201 InChI Key: QKGHBQJLEHAMKJ-ITGHMWBKSA-N PubChem CID: 11291742 IUPAC Name: [(2R,3S,4R,5S,6R)-3,4,6-triacetyloxy-5-azidooxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C
| PubChem CID | 11291742 |
|---|---|
| CAS | 68733-20-0 |
| Molecular Weight (g/mol) | 373.318 |
| MDL Number | MFCD01321201 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C |
| IUPAC Name | [(2R,3S,4R,5S,6R)-3,4,6-triacetyloxy-5-azidooxan-2-yl]methyl acetate |
| InChI Key | QKGHBQJLEHAMKJ-ITGHMWBKSA-N |
| Molecular Formula | C14H19N3O9 |
(+)-Diacetyl-L-tartaric Anhydride 97.0+%, TCI America™
CAS: 6283-74-5 Molecular Formula: C8H8O7 Molecular Weight (g/mol): 216.15 MDL Number: MFCD00037918 InChI Key: XAKITKDHDMPGPW-IOMOGOHMNA-N Synonym: 3r,4r-2,5-dioxotetrahydrofuran-3,4-diyl diacetate,unii-d7xnf76o0k,+-diacetyl-l-tartaric anhydride,d7xnf76o0k,2,5-furandione, 3,4-bis acetyloxy dihydro-, 3r,4r,3r,4r-4-acetyloxy-2,5-dioxooxolan-3-yl acetate,di-o-acetyl-l-tartaric anhydride,o,o-diacetyl tartaric acid anhydride,acetic acid 4-acetoxy-2,5-dioxo-tetrahydro-furan-3-yl ester,3r-trans-dihydro-2,5-dioxofuran-3,4-diyl diacetate PubChem CID: 513914 IUPAC Name: (3R,4R)-4-(acetyloxy)-2,5-dioxooxolan-3-yl acetate SMILES: CC(=O)O[C@@H]1[C@@H](OC(C)=O)C(=O)OC1=O
| PubChem CID | 513914 |
|---|---|
| CAS | 6283-74-5 |
| Molecular Weight (g/mol) | 216.15 |
| MDL Number | MFCD00037918 |
| SMILES | CC(=O)O[C@@H]1[C@@H](OC(C)=O)C(=O)OC1=O |
| Synonym | 3r,4r-2,5-dioxotetrahydrofuran-3,4-diyl diacetate,unii-d7xnf76o0k,+-diacetyl-l-tartaric anhydride,d7xnf76o0k,2,5-furandione, 3,4-bis acetyloxy dihydro-, 3r,4r,3r,4r-4-acetyloxy-2,5-dioxooxolan-3-yl acetate,di-o-acetyl-l-tartaric anhydride,o,o-diacetyl tartaric acid anhydride,acetic acid 4-acetoxy-2,5-dioxo-tetrahydro-furan-3-yl ester,3r-trans-dihydro-2,5-dioxofuran-3,4-diyl diacetate |
| IUPAC Name | (3R,4R)-4-(acetyloxy)-2,5-dioxooxolan-3-yl acetate |
| InChI Key | XAKITKDHDMPGPW-IOMOGOHMNA-N |
| Molecular Formula | C8H8O7 |
Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate 97.0+%, TCI America™
CAS: 137076-54-1 Molecular Formula: C28H52N4O8 Molecular Weight (g/mol): 572.744 MDL Number: MFCD02259697 InChI Key: RVUXZXMKYMSWOM-UHFFFAOYSA-N Synonym: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid Tri-tert-butyl Ester PubChem CID: 11606627 IUPAC Name: 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid SMILES: CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O
| PubChem CID | 11606627 |
|---|---|
| CAS | 137076-54-1 |
| Molecular Weight (g/mol) | 572.744 |
| MDL Number | MFCD02259697 |
| SMILES | CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O |
| Synonym | 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid Tri-tert-butyl Ester |
| IUPAC Name | 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| InChI Key | RVUXZXMKYMSWOM-UHFFFAOYSA-N |
| Molecular Formula | C28H52N4O8 |
1,3-Propanediamine-N,N,N',N'-tetraacetic Acid 98.0+%, TCI America™
CAS: 1939-36-2 Molecular Formula: C11H18N2O8 Molecular Weight (g/mol): 306.27 MDL Number: MFCD00210039 InChI Key: DMQQXDPCRUGSQB-UHFFFAOYSA-N PubChem CID: 80296 IUPAC Name: 2-({3-[bis(carboxymethyl)amino]propyl}(carboxymethyl)amino)acetic acid SMILES: OC(=O)CN(CCCN(CC(O)=O)CC(O)=O)CC(O)=O
| PubChem CID | 80296 |
|---|---|
| CAS | 1939-36-2 |
| Molecular Weight (g/mol) | 306.27 |
| MDL Number | MFCD00210039 |
| SMILES | OC(=O)CN(CCCN(CC(O)=O)CC(O)=O)CC(O)=O |
| IUPAC Name | 2-({3-[bis(carboxymethyl)amino]propyl}(carboxymethyl)amino)acetic acid |
| InChI Key | DMQQXDPCRUGSQB-UHFFFAOYSA-N |
| Molecular Formula | C11H18N2O8 |
4,4'-Biphthalic Anhydride 98.0+%, TCI America™
CAS: 2420-87-3 Molecular Formula: C16H6O6 Molecular Weight (g/mol): 294.218 MDL Number: MFCD00039140 InChI Key: WKDNYTOXBCRNPV-UHFFFAOYSA-N PubChem CID: 75494 IUPAC Name: 5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione SMILES: C1=CC2=C(C=C1C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
| PubChem CID | 75494 |
|---|---|
| CAS | 2420-87-3 |
| Molecular Weight (g/mol) | 294.218 |
| MDL Number | MFCD00039140 |
| SMILES | C1=CC2=C(C=C1C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O |
| IUPAC Name | 5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione |
| InChI Key | WKDNYTOXBCRNPV-UHFFFAOYSA-N |
| Molecular Formula | C16H6O6 |
Tricyclo[6.4.0.0(2,7)]dodecane-1,8:2,7-tetracarboxylic Dianhydride 98.0+%, TCI America™
CAS: 738-90-9 Molecular Formula: C16H16O6 Molecular Weight (g/mol): 304.30 MDL Number: MFCD11055168 InChI Key: YRPOEHNJJZOQJH-UHFFFAOYSA-N Synonym: Octahydrobiphenylene-4a,8b:4b,8a-tetracarboxylic Dianhydride, Octahydro-4a,8b:4b,8a-bis(methanooxymethano)biphenylene-9,11,12,14-tetraone PubChem CID: 53384377 IUPAC Name: 14,17-dioxapentacyclo[6.4.3.3²,⁷.0¹,⁸.0²,⁷]octadecane-13,15,16,18-tetrone SMILES: O=C1OC(=O)C23CCCCC12C12CCCCC31C(=O)OC2=O
| PubChem CID | 53384377 |
|---|---|
| CAS | 738-90-9 |
| Molecular Weight (g/mol) | 304.30 |
| MDL Number | MFCD11055168 |
| SMILES | O=C1OC(=O)C23CCCCC12C12CCCCC31C(=O)OC2=O |
| Synonym | Octahydrobiphenylene-4a,8b:4b,8a-tetracarboxylic Dianhydride, Octahydro-4a,8b:4b,8a-bis(methanooxymethano)biphenylene-9,11,12,14-tetraone |
| IUPAC Name | 14,17-dioxapentacyclo[6.4.3.3²,⁷.0¹,⁸.0²,⁷]octadecane-13,15,16,18-tetrone |
| InChI Key | YRPOEHNJJZOQJH-UHFFFAOYSA-N |
| Molecular Formula | C16H16O6 |