[(2R,3S,4R,5R,6R)-5-azido-6-[(1S,2R,3S,4S,5R,6S)-2,3-bis(oxidanyl)-4,5,6-tris(phenylmethoxy)cyclohexyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] bis(phenylmethyl) phosphate

Systemtic Name: [(2R,3S,4R,5R,6R)-5-azido-6-[(1S,2R,3S,4S,5R,6S)-2,3-bis(oxidanyl)-4,5,6-tris(phenylmethoxy)cyclohexyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] bis(phenylmethyl) phosphate Openeye Name: [(2R,3S,4R,5R,6R)-5-azido-4-benzyloxy-2-(benzyloxymethyl)-6-[(1S,2S,3R,4S,5S,6R)-2,3,4-tribenzyloxy-5,6-dihydroxy-cyclohexoxy]tetrahydropyran-3-yl] dibenzyl phosphate CAS Name: phosphoric acid [(2R,3S,4R,5R,6R)-5-azido-6-[(1S,2R,3S,4S,5R,6S)-2,3-dihydroxy-4,5,6-tris(phenylmethoxy)cyclohexyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl] bis(phenylmethyl) ester IUPAC Name: [(2R,3S,4R,5R,6R)-5-azido-6-[(1S,2R,3S,4S,5R,6S)-2,3-dihydroxy-4,5,6-tris(phenylmethoxy)cyclohexyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] dibenzyl phosphate Traditional Name: phosphoric acid [(2R,3S,4R,5R,6R)-5-azido-4-benzoxy-2-(benzoxymethyl)-6-[(1S,2S,3R,4S,5S,6R)-2,3,4-tribenzoxy-5,6-dihydroxy-cyclohexoxy]tetrahydropyran-3-yl] dibenzyl ester Formula: C61H64N3O13P MolecularWeight: 1078.146921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OC3C(C(C(C(C3OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)O)N=[N+]=[N-])OCC7=CC=CC=C7)OP(=O)(OCC8=CC=CC=C8)OCC9=CC=CC=C9

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]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)O)N=[N+]=[N-])OCC7=CC=CC=C7)OP(=O)(OCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C61H64N3O13P/c62-64-63-52-56(69-37-45-24-10-2-11-25-45)55(77-78(67,73-41-49-32-18-6-19-33-49)74-42-50-34-20-7-21-35-50)51(43-68-36-44-22-8-1-9-23-44)75-61(52)76-58-54(66)53(65)57(70-38-46-26-12-3-13-27-46)59(71-39-47-28-14-4-15-29-47)60(58)72-40-48-30-16-5-17-31-48/h1-35,51-61,65-66H,36-43H2/t51-,52-,53+,54-,55-,56-,57+,58+,59-,60-,61-/m1/s1