NSC164652

2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(2+);3-[(5Z,10Z,15Z)-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;hydrate

Also Known As: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(2+);3-[(5Z,10Z,15Z)-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;hydrate

Molecular Formula	C58H86CoN16O12
Molecular Weight	1257.5944 g/mol
LogP	0.55469
Topological Polar Surface Area	509.86 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	18
Rotatable Bonds	21
Exact Mass	1257.5944
Monoisotopic Mass	1257.5944
Heavy Atoms	87
Complexity	3247.313

Chemical Identifiers

CAS Number	58409-62-4
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)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.[CH2-]C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.O.[Co+2]