Vitamin B12

Chemical Information
vitamin B12 is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
| CAS Number | 68-19-9 |
| PubChem CID | 165339223 |
| IUPAC Name | cobalt(3+);[(2R,3S,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-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 |
| Molecular Formula | C63H88CoN14O14P |
| Molecular Weight | 1355.4 |
| Topological Polar Surface Area | 476 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 26 |
| Heavy Atom Count | 93 |
| Formal Charge | 0 |
| Complexity | 3150 |
| Property | Value |
|---|---|
| Molecular Weight | 1355.4 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 26 |
| Exact Mass | 1354.567399 |
| Monoisotopic Mass | 1354.567399 |
| Topological Polar Surface Area | 476 Ų |
| Heavy Atom Count | 93 |
| Formal Charge | 0 |
| Complexity | 3150 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 13 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |
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