Chemical Compound

{[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methanido-kappaC}[(2R,5S)-5-(5,6-dimethyl-1H-1,3-benzimidazol-1-yl-kappaN~3~)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl (2R)-1-{3-[(1~2~R,1~3~R,1~4~R,2~2~R,2~3~S,2~4~S,4~3~S,4~4~S,6~4~S)-1~3~,2~3~,4~3~-tris(2-amino-2-oxoethyl)-2~4~,4~4~,6~4~-tris(3-amino-3-oxopropyl)-1~4~,2~2~,2~3~,3,4~3~,6~3~,6~3~,7-octamethyl-2~3~,2~4~,4~3~,4~4~,6~3~,6~4~-hexahydro-2~2~H-1(2,5)-pyrrolidina-2,4,6(2,5)-tripyrrolacycloheptaphane-3,5,7-trien-1~1~-id-1~4~-yl-kappa~4~N~1^{1~},N~2^{1~},N~4^{1~},N~6^{1~}]propanamido}propan-2-yl phosphato]cobalt

CAS Registry Number 13870-90-1
返回搜索 申请报价
{[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methanido-kappaC}[(2R,5S)-5-(5,6-dimethyl-1H-1,3-benzimidazol-1-yl-kappaN~3~)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl (2R)-1-{3-[(1~2~R,1~3~R,1~4~R,2~2~R,2~3~S,2~4~S,4~3~S,4~4~S,6~4~S)-1~3~,2~3~,4~3~-tris(2-amino-2-oxoethyl)-2~4~,4~4~,6~4~-tris(3-amino-3-oxopropyl)-1~4~,2~2~,2~3~,3,4~3~,6~3~,6~3~,7-octamethyl-2~3~,2~4~,4~3~,4~4~,6~3~,6~4~-hexahydro-2~2~H-1(2,5)-pyrrolidina-2,4,6(2,5)-tripyrrolacycloheptaphane-3,5,7-trien-1~1~-id-1~4~-yl-kappa~4~N~1^{1~},N~2^{1~},N~4^{1~},N~6^{1~}]propanamido}propan-2-yl phosphato]cobalt 结构式
Primary record

{[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methanido-kappaC}[(2R,5S)-5-(5,6-dimethyl-1H-1,3-benzimidazol-1-yl-kappaN~3~)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl (2R)-1-{3-[(1~2~R,1~3~R,1~4~R,2~2~R,2~3~S,2~4~S,4~3~S,4~4~S,6~4~S)-1~3~,2~3~,4~3~-tris(2-amino-2-oxoethyl)-2~4~,4~4~,6~4~-tris(3-amino-3-oxopropyl)-1~4~,2~2~,2~3~,3,4~3~,6~3~,6~3~,7-octamethyl-2~3~,2~4~,4~3~,4~4~,6~3~,6~4~-hexahydro-2~2~H-1(2,5)-pyrrolidina-2,4,6(2,5)-tripyrrolacycloheptaphane-3,5,7-trien-1~1~-id-1~4~-yl-kappa~4~N~1^{1~},N~2^{1~},N~4^{1~},N~6^{1~}]propanamido}propan-2-yl phosphato]cobalt

库存
9,246 克
纯度
98.3 %
CAS
13870-90-1

化合物标识与属性

CAS
13870-90-1
PubChem CID
146025952
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C([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.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3]
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]2C(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.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3]

名称与同义词

  • adenosylcobalamin
  • coenzyme B12
  • DTXSID1046009
  • HY-112790
  • CS-0064478
  • {[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methanido-kappaC}[(2R,5S)-5-(5,6-dimethyl-1H-1,3-benzimidazol-1-yl-kappaN~3~)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl (2R)-1-{3-[(1~2~R,1~3~R,1~4~R,2~2~R,2~3~S,2~4~S,4~3~S,4~4~S,6~4~S)-1~3~,2~3~,4~3~-tris(2-amino-2-oxoethyl)-2~4~,4~4~,6~4~-tris(3-amino-3-oxopropyl)-1~4~,2~2~,2~3~,3,4~3~,6~3~,6~3~,7-octamethyl-2~3~,2~4~,4~3~,4~4~,6~3~,6~4~-hexahydro-2~2~H-1(2,5)-pyrrolidina-2,4,6(2,5)-tripyrrolacycloheptaphane-3,5,7-trien-1~1~-id-1~4~-yl-kappa~4~N~1^{1~},N~2^{1~},N~4^{1~},N~6^{1~}]propanamido}propan-2-yl phosphato]cobalt
  • 13870-90-1