Cobinamide dicyanide

cobalt;3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide;dicyanide

Also Known As: Cobinamide dicyanide|Etiocobalamin|Dicyanocobinamide|Factor B|Vitamin B12p|Complement factor B|Cobinamide, dicyanide|Etiocobalamin, Factor B|Bb Fragment of Factor B|Co,Co-Bis(cy-ano-?C)-cobinamide|SID:318165576|cobalt;3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide;dicyanide|dicyanocobyrinic acid a,b,c,d,e,g-hexamide f-D-2-hydroxypropylamide|dicyano-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3-[3-(2-hydroxypropylamino)-3-oxo-propyl]-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-yl]cobalt(1+)

Molecular Formula	C50H72CoN13O8-3
Molecular Weight	1041.4958 g/mol
LogP	2.71034
Topological Polar Surface Area	406.63 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	13
Rotatable Bonds	20
Exact Mass	1041.4958
Monoisotopic Mass	1041.4958
Heavy Atoms	72
Complexity	2413.7034

Chemical Identifiers

CAS Number	27792-36-5
SMILES	C/C/1=C/2\[C@@]([C@@H](C(=N2)/C=C\3/C([C@@H](C(=N3)/C(=C\4/[C@]([C@H](C([N-]4)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)O)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N.[C-]#N.[C-]#N.[Co]