Aquo-Cyano-Cobinamide
[CAS# 13963-62-7]

Identification

• Name: Aquo-Cyano-Cobinamide
• Synonyms: Vitamin B12 Factor B
• Molecular Formula: C₄₉H₇₅CoN₁₂O₁₀
• Molecular Weight: 1051.14
• CAS Registry Number: 13963-62-7
• SMILES: [Co+3].N1=C3C(C(C1(C2N=C(C(C2CC(=O)N)(CCC(=O)NCC(O)C)C)C(=C5[N-]C(=CC4=NC(=C3C)C(C4CCC(=O)N)(CC(=O)N)C)C(C5CCC(=O)N)(C)C)C)C)(CC(=O)N)C)CCC(=O)N.N#[C-].O.[OH-]
• InChI: 1S/C48H73N11O8.CN.Co.2H2O/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-2;;;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);;;2*1H2/q;-1;+3;;/p-2
• InChIKey: CACQFZSAEXEWBL-UHFFFAOYSA-L