[(2R,3R,4R,5R)-5-[[(3aR,4R,6R,6aR)-4-(6-benzamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-[[(3aR,4R,6R,6aR)-4-(6-benzamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-5-[[(3aR,4R,6R,6aR)-4-(6-benzamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-5-[[(3aR,4R,6R,6aR)-4-(6-benzamido-9-purinyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-[[(3aR,4R,6R,6aR)-4-(6-benzamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-5-[[(3aR,4R,6R,6aR)-4-(6-benzamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C46H41N5O12 MolecularWeight: 855.84404

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)COC6C(C(C(O6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)C

Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)CO[C@H]6[C@@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)C

InChI

InChI=1S/C46H41N5O12/c1-46(2)62-35-32(58-41(36(35)63-46)51-26-49-33-38(47-25-48-39(33)51)50-40(52)27-15-7-3-8-16-27)24-57-45-37(61-44(55)30-21-13-6-14-22-30)34(60-43(54)29-19-11-5-12-20-29)31(59-45)23-56-42(53)28-17-9-4-10-18-28/h3-22,25-26,31-32,34-37,41,45H,23-24H2,1-2H3,(H,47,48,50,52)/t31-,32-,34-,35-,36-,37-,41-,45-/m1/s1