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CAS RN 13422-51-0

H2OCoH3C(S)HNO(R)CH3(R)H2NONCH3NNH3CN(R)CH3(S)CH3H2NO(S)H2NO(S)H3CH2NO(S)NH2OCH3H3C(S)NH2OOPOOO(S)(R)OH(S)O(R)HONNCH3CH3(Z)(Z)(Z)

CAS RN 13422-51-0

IUPAC Name: λ²-cobalt(2+) (2R,3S,4S,6Z,8S,9S,11Z,14S,16Z,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2S)-2-{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20λ⁵,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaene-20,20-diid-20-yl λ³-oxidanide
Synonyms: λ²-cobalt(2+) (2R,3S,4S,6Z,8S,9S,11Z,14S,16Z,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2S)-2-{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20λ⁵,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaene-20,20-diid-20-yl λ³-oxidanide
Molecular Weight (g/mol): 1347.39
Molecular Formula: C62H90CoN13O15P
InChi Key: PJOHJFIDLYDPIZ-PMEYKKDOSA-M
SMILES: [OH2-].[Co++].C[C@@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N--]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)\[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)/C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=CC(C)=C(C)C=C12
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Hydroxocobalamin, Spectrum™ Chemical
SDP

CAS: 13422-51-0

CAS 13422-51-0
2

Hydroxocobalamin, USP, 95-102%, Spectrum™ Chemical
SDP

CAS: 13422-51-0 Molecular Formula: C62H90CoN13O15P Molecular Weight (g/mol): 1347.39 InChI Key: PJOHJFIDLYDPIZ-PMEYKKDOSA-M IUPAC Name: λ²-cobalt(2+) (2R,3S,4S,6Z,8S,9S,11Z,14S,16Z,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2S)-2-{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20λ⁵,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaene-20,20-diid-20-yl λ³-oxidanide SMILES: [OH2-].[Co++].C[C@@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N--]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)\[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)/C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=CC(C)=C(C)C=C12

CAS 13422-51-0
Molecular Weight (g/mol) 1347.39
SMILES [OH2-].[Co++].C[C@@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N--]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)\[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)/C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=CC(C)=C(C)C=C12
IUPAC Name λ²-cobalt(2+) (2R,3S,4S,6Z,8S,9S,11Z,14S,16Z,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2S)-2-{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20λ⁵,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaene-20,20-diid-20-yl λ³-oxidanide
InChI Key PJOHJFIDLYDPIZ-PMEYKKDOSA-M
Molecular Formula C62H90CoN13O15P