Cobinamide, Dihydrogenphosphate (Ester), Inner Salt, 3'-Ester With (5,6-Dimethyl-1-alpha-D-Ribofuranosyl-1H-Benzimidazole-Kn3), Ion(1+)
[CAS# 13408-78-1]

Identification

• Name: Cobinamide, Dihydrogenphosphate (Ester), Inner Salt, 3'-Ester With (5,6-Dimethyl-1-alpha-D-Ribofuranosyl-1H-Benzimidazole-Kn3), Ion(1+)
• Synonyms: Cobinamide, Hydroxide, Ion(1+), Dihydrogen Phosphate (Ester), Inner Salt, 3'-Ester With (5,6-Dimethyl-1-Alpha-D-Ribofuranosyl-1H-Benzimidazole-Kappan3)
• Molecular Formula: C₆₂H₈₈CoN₁₃O₁₄P
• Molecular Weight: 1329.36
• CAS Registry Number: 13408-78-1
• EINECS: 236-500-2
• SMILES: [Co+3].N1=C2C(C(C1(C5[N-]C(=C(C4=NC(=CC3=NC(=C2C)C(C3CCC(=O)N)(CC(=O)N)C)C(C4CCC(=O)N)(C)C)C)C(C5CC(=O)N)(CCC(=O)NCC(O[P](OC6C(O)C(OC6CO)[N]8C7=CC(=C(C=C7N=C8)C)C)([O-])=O)C)C)C)(CC(=O)N)C)CCC(=O)N
• InChI: 1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+3/p-2
• InChIKey: NSLAUEAQDBERRV-UHFFFAOYSA-L