[(2R,3R,4S,5R,6R)-2-(azidomethyl)-6-[(1R,2R,4R,5R)-2,4-diazido-5-[(2R,3R,4R,5S,6R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-2-(azidomethyl)-6-[(1R,2R,4R,5R)-2,4-diazido-5-[(2R,3R,4R,5S,6R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5R,6R)-2-(azidomethyl)-4,5-dibenzoyloxy-6-[(1R,2R,4R,5R)-2,4-diazido-5-[(2R,3R,4R,5S,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-3-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-2-yl]oxy-cyclohexoxy]tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-2-(azidomethyl)-4,5-dibenzoyloxy-6-[(1R,2R,4R,5R)-2,4-diazido-5-[[(2R,3R,4R,5S,6R)-3-(1,3-dioxo-2-isoindolyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]cyclohexyl]oxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-2-(azidomethyl)-4,5-dibenzoyloxy-6-[(1R,2R,4R,5R)-2,4-diazido-5-[(2R,3R,4R,5S,6R)-3-(1,3-dioxoisoindol-2-yl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexyl]oxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-2-(azidomethyl)-4,5-dibenzoyloxy-6-[(1R,2R,4R,5R)-2,4-diazido-5-[(2R,3R,4R,5S,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-3-phthalimido-tetrahydropyran-2-yl]oxy-cyclohexoxy]tetrahydropyran-3-yl] ester Formula: C68H62N10O15 MolecularWeight: 1259.27788

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1N=[N+]=[N-])OC2C(C(C(C(O2)CN=[N+]=[N-])OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)N1C(=O)C2=CC=CC=C2C1=O)N=[N+]=[N-]

Isomeric SMILES

C1[C@H]([C@@H](C[C@H]([C@@H]1N=[N+]=[N-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN=[N+]=[N-])OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)N1C(=O)C2=CC=CC=C2C1=O)N=[N+]=[N-]

InChI

InChI=1S/C68H62N10O15/c69-75-72-37-54-58(91-64(81)45-27-13-4-14-28-45)60(92-65(82)46-29-15-5-16-30-46)61(93-66(83)47-31-17-6-18-32-47)68(89-54)88-53-36-52(50(73-76-70)35-51(53)74-77-71)87-67-56(78-62(79)48-33-19-20-34-49(48)63(78)80)59(86-40-44-25-11-3-12-26-44)57(85-39-43-23-9-2-10-24-43)55(90-67)41-84-38-42-21-7-1-8-22-42/h1-34,50-61,67-68H,35-41H2/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60+,61-,67-,68-/m1/s1