Chemical Compound

1-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)oxolan-3-yl] phosphate; cobalt(3+); dicyanide

CAS Registry Number 119637-75-1
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1-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)oxolan-3-yl] phosphate; cobalt(3+); dicyanide 结构式
Primary record

1-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)oxolan-3-yl] phosphate; cobalt(3+); dicyanide

库存
824 克
纯度
98.5 %
CAS
119637-75-1

化合物标识与属性

CAS
119637-75-1
PubChem CID
6450077
SMILES
CC1=CC=C(C=C1)OC2C(C(C(O2)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\3(C(C4C5C(C(C(=N5)/C(=C\6/C(C(C(=N6)/C=C\7/C(C(C(=N7)/C(=C3\[N-]4)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CCC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)CC(=O)N)C)O.[C-]#N.[C-]#N.[Co+3]
Canonical SMILES
C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(Oc5ccc(C)cc5)C4O)C4N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CCC(N)=O.[C-]#N.[C-]#N.[Co+3]

名称与同义词

  • 4-Cresolylcobamide
  • p-Cscb
  • RefChem:98637
  • C62H86CoN13O15P
  • AC1O511M
  • CID6450077
  • C62-H86-Co-N13-O15-P
  • 119637-75-1
  • Cobinamide, dicyanide, dihydrogen phosphate (ester), inner salt, 3-ester with 4-methylphenyl alpha-D-ribofuranoside, ion(1-)
  • 1-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)oxolan-3-yl] phosphat
  • 1-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)oxolan-3-yl] phosphate; cobalt(3+); dicyanide
  • 1-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)oxolan-3-yl] phosphate;cobalt(3+);dicyanide