[(2R,3R,4S,5R)-2-(hydroxymethyl)-4-(4-methoxyphenyl)carbonyloxy-5-(6-methoxypurin-9-yl)oxolan-3-yl] 4-methoxybenzoate

Systemtic Name: [(2R,3R,4S,5R)-2-(hydroxymethyl)-4-(4-methoxyphenyl)carbonyloxy-5-(6-methoxypurin-9-yl)oxolan-3-yl] 4-methoxybenzoate Openeye Name: [(2R,3R,4S,5R)-2-(hydroxymethyl)-4-(4-methoxybenzoyl)oxy-5-(6-methoxypurin-9-yl)tetrahydrofuran-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2R,3R,4S,5R)-2-(hydroxymethyl)-4-[(4-methoxyphenyl)-oxomethoxy]-5-(6-methoxy-9-purinyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S,5R)-2-(hydroxymethyl)-4-(4-methoxybenzoyl)oxy-5-(6-methoxypurin-9-yl)oxolan-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2R,3R,4S,5R)-5-(6-methoxypurin-9-yl)-2-methylol-4-p-anisoyloxy-tetrahydrofuran-3-yl] ester Formula: C27H26N4O9 MolecularWeight: 550.51674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2C(OC(C2OC(=O)C3=CC=C(C=C3)OC)N4C=NC5=C4N=CN=C5OC)CO

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](O[C@H]([C@H]2OC(=O)C3=CC=C(C=C3)OC)N4C=NC5=C4N=CN=C5OC)CO

InChI

InChI=1S/C27H26N4O9/c1-35-17-8-4-15(5-9-17)26(33)39-21-19(12-32)38-25(31-14-30-20-23(31)28-13-29-24(20)37-3)22(21)40-27(34)16-6-10-18(36-2)11-7-16/h4-11,13-14,19,21-22,25,32H,12H2,1-3H3/t19-,21-,22+,25-/m1/s1