Cobyrinic acid

cobalt(3+);3-[(5Z,10Z,15Z)-3,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoic acid

Also Known As: Cobyrinic acid|Cobalt(3+);3-[(5Z,10Z,15Z)-3,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoic acid|cobalt(3+); 3-[(5Z,10Z,15Z)-3,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoic acid

Molecular Formula	C45H59CoN4O14+2
Molecular Weight	938.336 g/mol
LogP	6.701
Topological Polar Surface Area	312.28 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	10
Rotatable Bonds	18
Exact Mass	938.336
Monoisotopic Mass	938.336
Heavy Atoms	64
Complexity	2224.3242

Chemical Identifiers

CAS Number	33593-50-9
SMILES	C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)O)(C)C)CCC(=O)O)(C)CC(=O)O)/C)CCC(=O)O)(C)CC(=O)O)C)CC(=O)O)(C)CCC(=O)O.[Co+3]