[(2R,3R,4R,5R)-5-[[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methoxy]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-[[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methoxy]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-5-[[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methoxy]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-5-[[(2R,3R,4R,5R)-5-(6-benzamido-9-purinyl)-3,4-dibenzoyloxy-2-oxolanyl]methoxy]-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-[[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-3,4-dibenzoyloxyoxolan-2-yl]methoxy]-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-5-[[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methoxy]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C57H45N5O14 MolecularWeight: 1023.9923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC5C(C(C(O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@@H]([C@H](O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C57H45N5O14/c63-50(35-19-7-1-8-20-35)61-48-43-49(59-33-58-48)62(34-60-43)51-46(75-55(67)39-27-15-5-16-28-39)44(73-53(65)37-23-11-3-12-24-37)41(71-51)32-70-57-47(76-56(68)40-29-17-6-18-30-40)45(74-54(66)38-25-13-4-14-26-38)42(72-57)31-69-52(64)36-21-9-2-10-22-36/h1-30,33-34,41-42,44-47,51,57H,31-32H2,(H,58,59,61,63)/t41-,42-,44-,45-,46-,47-,51-,57-/m1/s1