Chemical Compound

Phenolyl cobamide

CAS Registry Number 125939-05-1
Phenolyl cobamide chemical structure
Primary Record

Phenolyl cobamide

In stock
6,356 g
Purity
99.1 %
CAS
125939-05-1

Compound Identifiers & Properties

CAS
125939-05-1
PubChem CID
6443971
SMILES
C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)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)CCC(=O)NCC(C)OP(=O)(O)OC6C(OC(C6O)OC7=CC=CC=C7)CO.[C-]#N.O.[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(Oc5ccccc5)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.O.[C-]#N.[Co+3]

Names & Synonyms

  • Phenolyl cobamide
  • RefChem:172884
  • SCHEMBL29798158
  • AC1O6013
  • CID6443971
  • 125939-05-1
  • cobalt(3+),[4-hydroxy-2-(hydroxymethyl)-5-phenoxyoxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-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 hydrogen
  • cobalt(3+); [4-hydroxy-2-(hydroxymethyl)-5-phenoxyoxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-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 hydrogen phosphate; cyanide; hydrate
  • cobalt(3+);[4-hydroxy-2-(hydroxymethyl)-5-phenoxyoxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-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 hydrogen phosphate;cyanide;hydrate