Chemical Compound

lambda4-cobalt(4+) ion 1-((2S,3R,4S,5R)-4-(((((2R)-1-((3-((1R,3R,8S,13S,14S,18S,19S)-8,13-bis(2-carboximidatoethyl)-18-(2-(C-hydroxycarbonimidoyl)ethyl)-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo(15.2.1.12,5.17,10.112,15)tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl)-1-hydroxypropylidene)amino)propan-2-yl)oxy)(hydroxy)phosphoryl)oxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-5,6-dimethyl-3H-1lambda5,3-benzodiazol-1-ylium

CAS Registry Number 18534-66-2
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lambda4-cobalt(4+) ion 1-((2S,3R,4S,5R)-4-(((((2R)-1-((3-((1R,3R,8S,13S,14S,18S,19S)-8,13-bis(2-carboximidatoethyl)-18-(2-(C-hydroxycarbonimidoyl)ethyl)-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo(15.2.1.12,5.17,10.112,15)tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl)-1-hydroxypropylidene)amino)propan-2-yl)oxy)(hydroxy)phosphoryl)oxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-5,6-dimethyl-3H-1lambda5,3-benzodiazol-1-ylium 结构式
Primary record

lambda4-cobalt(4+) ion 1-((2S,3R,4S,5R)-4-(((((2R)-1-((3-((1R,3R,8S,13S,14S,18S,19S)-8,13-bis(2-carboximidatoethyl)-18-(2-(C-hydroxycarbonimidoyl)ethyl)-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo(15.2.1.12,5.17,10.112,15)tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl)-1-hydroxypropylidene)amino)propan-2-yl)oxy)(hydroxy)phosphoryl)oxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-5,6-dimethyl-3H-1lambda5,3-benzodiazol-1-ylium

库存
7,260 克
纯度
99.5 %
CAS
18534-66-2

化合物标识与属性

CAS
18534-66-2
PubChem CID
16058317
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+2]
Canonical SMILES
C/C1=C2/[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(/C(C)=C3\N=C(/C=C4\N=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.[Co+2]

名称与同义词

  • Cob(II)alamin
  • Vitamin B12r
  • AC1OAGIB
  • RefChem:918855
  • CHEBI:16304
  • Q27101840
  • 18534-66-2
  • cobalt(2+); [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate
  • Cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate
  • lambda4-cobalt(4+) ion 1-((2S,3R,4S,5R)-4-(((((2R)-1-((3-((1R,3R,8S,13S,14S,18S,19S)-8,13-bis(2-carboximidatoethyl)-18-(2-(C-hydroxycarbonimidoyl)ethyl)-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo(15.2.1.12,5.17,10.112,15)tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl)-1-hydroxypropylidene)amino)propan-2-yl)oxy)(hydroxy)phosphoryl)oxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-5,6-dimethyl-3H-1lambda5,3-benzodiazol-1-ylium