Cobinamide, isocyanide, dihydrogen phosphate (eater), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole
Basic information
- CAS
89138-85-2- Standard SMILES
C/C1=C2N=C(/C=C3N=C(/C(C)=C4\[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C\3(C)C)C(CCC(N)=O)C/2(C)CC(N)=O.[C-]#N.[Co+3]- InChIKey
FDJOLVPMNUYSCM-UHFFFAOYSA-L- Molecular formula
- C63H88CoN14O14P
- Average molar mass
- 1,355.4 g/mol
- Monoisotopic mass
- 1,354.567399
Names & identifiers
- Preferred name
- Cobinamide, isocyanide, dihydrogen phosphate (eater), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole
- IUPAC
- cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-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 phosphate;cyanide
Names & synonyms
89138-85-2AKOS026750010Cobinamide, isocyanide, dihydrogen phosphate (eater), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazoleCobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-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 phosphate;cyanide
Database identifiers
- CAS
89138-85-2- PubChem CID
- 6442967
Properties
Computed structural properties
- Topological polar surface area
- 476 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 26
- Heavy atoms
- 93
- Formal charge
- 0
- Complexity
- 3,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…