[(5R)-5-(6-oxidanylidene-3H-purin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(5R)-5-(6-oxidanylidene-3H-purin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(5R)-3,4-dibenzoyloxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(5R)-3,4-dibenzoyloxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(5R)-3,4-dibenzoyloxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(5R)-3,4-dibenzoyloxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C31H24N4O8 MolecularWeight: 580.54426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C([C@@H](O2)N3C=NC4=C3NC=NC4=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H24N4O8/c36-27-23-26(32-17-33-27)35(18-34-23)28-25(43-31(39)21-14-8-3-9-15-21)24(42-30(38)20-12-6-2-7-13-20)22(41-28)16-40-29(37)19-10-4-1-5-11-19/h1-15,17-18,22,24-25,28H,16H2,(H,32,33,36)/t22?,24?,25?,28-/m1/s1