[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azido-5-(2-phenoxyethanoyloxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate

Systemtic Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azido-5-(2-phenoxyethanoyloxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate Openeye Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azido-4-benzyloxy-6-(benzyloxymethyl)-5-(2-phenoxyacetyl)oxy-tetrahydropyran-2-yl]oxy-3,4,5,6-tetrabenzyloxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2R,3S,4R,5R,6R)-2-[[(2R,3R,4R,5S,6R)-3-azido-5-(1-oxo-2-phenoxyethoxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] ester IUPAC Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azido-5-(2-phenoxyacetyl)oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azido-4-benzoxy-6-(benzoxymethyl)-5-(2-phenoxyacetyl)oxy-tetrahydropyran-2-yl]oxy-3,4,5,6-tetrabenzoxy-cyclohexyl] ester Formula: C69H67N3O13 MolecularWeight: 1146.28258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OC3C(C(C(C(C3OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-])OCC9=CC=CC=C9)OC(=O)COC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H]([C@H]([C@H]([C@H]3OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-])OCC9=CC=CC=C9)OC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C69H67N3O13/c70-72-71-59-61(77-42-50-27-11-2-12-28-50)60(83-58(73)48-76-56-39-23-8-24-40-56)57(47-75-41-49-25-9-1-10-26-49)82-69(59)85-67-65(81-46-54-35-19-6-20-36-54)63(79-44-52-31-15-4-16-32-52)62(78-43-51-29-13-3-14-30-51)64(80-45-53-33-17-5-18-34-53)66(67)84-68(74)55-37-21-7-22-38-55/h1-40,57,59-67,69H,41-48H2/t57-,59-,60-,61-,62-,63-,64-,65+,66-,67-,69-/m1/s1