Cobinamide

Base Information

• Chemical Name: Cobinamide
• CAS No.: 13497-85-3
• Molecular Formula: C48H72 Co N11 O8
• Molecular Weight: 1362.41
• UNII: HP8A6YZX4S
• DSSTox Substance ID: DTXSID301308814
• Metabolomics Workbench ID: 71197
• Mol file: 13497-85-3.mol

Synonyms:cobinamide;cobinamide dihydrate;diaquocobinamide

Chemical Property of Cobinamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1228.4°Cat760mmHg
• Flash Point: 696.7°C
• PSA: 351.43000
• Density: g/cm³
• LogP: 8.05390
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 20
• Exact Mass: 989.489727
• Heavy Atom Count: 68
• Complexity: 2310

Purity/Quality:

99% ^*data from raw suppliers

METHYLCOBALAMIN HYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(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)O.[Co+3]
• Isomeric SMILES: C/C/1=C/2\[C@@]([C@@H](C(=N2)/C=C\3/C([C@@H](C(=N3)/C(=C\4/[C@]([C@H]([C@@H]([N-]4)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N.[Co+3]