Phenolyl Cobamide
[CAS# 125939-05-1]

Identification

• Name: Phenolyl Cobamide
• Molecular Formula: C₆₀H₈₇CoN₁₂O₁₆P
• Molecular Weight: 1322.33
• CAS Registry Number: 125939-05-1
• SMILES: [Co+3].N1=C6C(C(C1(C2N=C(C(C2CC(=O)N)(CCC(=O)NCC(O[P](OC3C(O)C(OC3CO)OC4=CC=CC=C4)(=O)O)C)C)C(=C5N=C(C(C5CCC(=O)N)(C)C)[CH-]C7=NC(=C6C)C(C7CCC(=O)N)(CC(=O)N)C)C)C)(CC(=O)N)C)CCC(=O)N.O.[C-]#N
• InChI: 1S/C59H85N11O15P.CN.Co.H2O/c1-29(84-86(80,81)85-50-38(28-71)83-54(49(50)79)82-32-13-11-10-12-14-32)27-66-46(78)21-22-56(6)36(23-43(63)75)53-59(9)58(8,26-45(65)77)35(17-20-42(62)74)48(70-59)31(3)52-57(7,25-44(64)76)33(15-18-40(60)72)37(67-52)24-39-55(4,5)34(16-19-41(61)73)47(68-39)30(2)51(56)69-53;1-2;;/h10-14,24,29,33-36,38,49-50,53-54,71,79H,15-23,25-28H2,1-9H3,(H2,60,72)(H2,61,73)(H2,62,74)(H2,63,75)(H2,64,76)(H2,65,77)(H,66,78)(H,80,81);;;1H2/q2*-1;+3
• InChIKey: DNKIHELDPWOCOE-UHFFFAOYSA-N