[(2R,3R,4R,5R)-5-[6-(acetyloxymethyl)purin-9-yl]-3,4-bis[(4-methylphenyl)carbonyloxy]oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2R,3R,4R,5R)-5-[6-(acetyloxymethyl)purin-9-yl]-3,4-bis[(4-methylphenyl)carbonyloxy]oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3R,4R,5R)-5-[6-(acetoxymethyl)purin-9-yl]-3,4-bis[(4-methylbenzoyl)oxy]tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R,4R,5R)-5-[6-(acetyloxymethyl)-9-purinyl]-3,4-bis[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-[6-(acetyloxymethyl)purin-9-yl]-3,4-bis[(4-methylbenzoyl)oxy]oxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R,4R,5R)-5-[6-(acetoxymethyl)purin-9-yl]-3,4-bis(p-toluoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C37H34N4O9 MolecularWeight: 678.68726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)COC(=O)C)OC(=O)C5=CC=C(C=C5)C)OC(=O)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)COC(=O)C)OC(=O)C5=CC=C(C=C5)C)OC(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C37H34N4O9/c1-21-5-11-25(12-6-21)35(43)47-18-29-31(49-36(44)26-13-7-22(2)8-14-26)32(50-37(45)27-15-9-23(3)10-16-27)34(48-29)41-20-40-30-28(17-46-24(4)42)38-19-39-33(30)41/h5-16,19-20,29,31-32,34H,17-18H2,1-4H3/t29-,31-,32-,34-/m1/s1