[(2R,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4R,5R)-4-acetoxy-5-(6-aminopurin-9-yl)-3-benzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-3-benzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-3-benzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R)-4-acetoxy-5-adenin-9-yl-3-benzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C26H23N5O7 MolecularWeight: 517.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)O[C@@H]1[C@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23N5O7/c1-15(32)36-21-20(38-26(34)17-10-6-3-7-11-17)18(12-35-25(33)16-8-4-2-5-9-16)37-24(21)31-14-30-19-22(27)28-13-29-23(19)31/h2-11,13-14,18,20-21,24H,12H2,1H3,(H2,27,28,29)/t18-,20+,21-,24-/m1/s1