276862-85-2 Purity
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Specification
The molecular formula of Cobinamide dicyanide is C50H72CoN13O8 -3.
It was created on April 29, 2006, and last modified on December 30, 2023.
The molecular weight of Cobinamide dicyanide is 1042.1 g/mol.
The IUPAC Name is 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.
The Canonical SMILES is CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)O.[C-]#N.[C-]#N.[Co].
The InChIKey is NWXVHVXSDZHCFS-TWXWJCICSA-M.
Cobinamide dicyanide has 8 Hydrogen Bond Donor Counts.
The Exact Mass is 1041.495875 g/mol.
The Heavy Atom Count is 72.
The Formal Charge is -3.