[(2R,3R,4R,5R)-5-[(2R,3S,4R,5R,6R)-2-(acetyloxymethyl)-5-azido-6-methoxy-3-oxidanyl-oxan-4-yl]oxy-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-[(2R,3S,4R,5R,6R)-2-(acetyloxymethyl)-5-azido-6-methoxy-3-oxidanyl-oxan-4-yl]oxy-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-5-[(2R,3S,4R,5R,6R)-2-(acetoxymethyl)-5-azido-3-hydroxy-6-methoxy-tetrahydropyran-4-yl]oxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-5-[[(2R,3S,4R,5R,6R)-2-(acetyloxymethyl)-5-azido-3-hydroxy-6-methoxy-4-oxanyl]oxy]-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-[(2R,3S,4R,5R,6R)-2-(acetyloxymethyl)-5-azido-3-hydroxy-6-methoxyoxan-4-yl]oxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-5-[(2R,3S,4R,5R,6R)-2-(acetoxymethyl)-5-azido-3-hydroxy-6-methoxy-tetrahydropyran-4-yl]oxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C35H35N3O13 MolecularWeight: 705.6647

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC)N=[N+]=[N-])OC2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC)N=[N+]=[N-])O[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C35H35N3O13/c1-20(39)45-18-24-27(40)29(26(37-38-36)34(44-2)47-24)51-35-30(50-33(43)23-16-10-5-11-17-23)28(49-32(42)22-14-8-4-9-15-22)25(48-35)19-46-31(41)21-12-6-3-7-13-21/h3-17,24-30,34-35,40H,18-19H2,1-2H3/t24-,25-,26-,27-,28-,29-,30-,34-,35+/m1/s1