vitamin B12
C63H88CoN14O14P
Molecular FormulaC63H88CoN14O14P
Molecular Weight1355.4 g/mol
Exact Mass1354.567399
SMILESCC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)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)O.[C-]#N.[Co+3]
InChIKeyFDJOLVPMNUYSCM-SYUKHSAKSA-L
XLogPundefined
TPSA476 Ų
Complexity3150
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds26
Charge0
PubChem CID165339223
Also Known As
vitamin B1268-19-9CoobalamedVitamin B 12CynobalB 12, VitaminVitamine B12vitamin B-12Distivit (B12 peptide)Factor II (vitamin B12)Vatimin B12B12, VitaminRefChem:901999CHEBI:176843DTXCID501513207Cobinamide, cyanide hydroxide, dihydrogen phosphatecobalt(3+) ion 4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-((2-((5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato)oxy)propyl)carbamoyl)ethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo(15.2.1.12,5.17,10.112,15)tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-ideCobalamin (III)cobalt(3+);((2R,3S,4R)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl) ((2R)-1-(3-((1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,3,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl)propanoylamino)propan-2-yl) phosphate;cyanideDTXSID7044346