[5-(6-oxidanylidene-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(6-oxidanylidene-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-(6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-(6-keto-3H-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H14N4O10P2 MolecularWeight: 412.186482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC=NC3=O)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC=NC3=O)COP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C10H14N4O10P2/c15-10-8-9(11-3-12-10)14(4-13-8)7-1-5(24-26(19,20)21)6(23-7)2-22-25(16,17)18/h3-7H,1-2H2,(H,11,12,15)(H2,16,17,18)(H2,19,20,21)