[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphate; cobalt(3+); tetrahydrate

Systemtic Name: [3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphate; cobalt(3+); tetrahydrate Openeye Name: cobaltic [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphate tetrahydrate CAS Name: cobalt(3+); [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl phosphate; tetrahydrate IUPAC Name: cobalt(3+); [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate; tetrahydrate Traditional Name: cobaltic [3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphate tetrahydrate Formula: C20H30CoN8O20P2- MolecularWeight: 823.374522

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.O.O.O.O.[Co+3]

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.O.O.O.O.[Co+3]

InChI

InChI=1S/2C10H13N4O8P.Co.4H2O/c2*15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;;/h2*2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;4*1H2/q;;+3;;;;/p-4