alpha-(5-Hydroxybenzimidazolyl)cobamidecyanide
[CAS# 14708-95-3]

Identification

• Name: alpha-(5-Hydroxybenzimidazolyl)cobamidecyanide
• Synonyms: 5-Hydroxybenzimidazolylcobamid; 5-Hydroxybenzimidazolylcobamide; Co(β)-Cyano-5'-hydroxybenzimidazolylcobamide
• Molecular Formula: C₆₁H₈₄CoN₁₄O₁₅P
• Molecular Weight: 1343.31
• CAS Registry Number: 14708-95-3
• SMILES: [Co+3].[C-]#N.O=C(N)CC8(C=1\N=C(\C=C7/N=C(/C(=C3\[N-]C(C2(/N=C(/C=1C)C(CCC(=O)N)C2(CC(=O)N)C)C)C(CC(=O)N)C3(C)CCC(=O)NCC(OP([O-])(=O)OC6C(OC(n5cnc4cc(O)ccc45)C6O)CO)C)C)C(CCC(=O)N)C7(C)C)C8CCC(=O)N)C
• InChI: 1S/C60H86N13O15P.CN.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54;1-2;/h10,14,20,22,27-28,32-35,39,50-51,54-55,74,83H,11-13,15-19,21,23-26H2,1-9H3,(H16,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,82,84,85);;/q;-1;+3/p-2
• InChIKey: MAKWLFSKRAUSAV-UHFFFAOYSA-L

Properties

• Refractive index: (Cal.)