[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(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-2-(hydroxymethyl)-4-phenylmethoxy-oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(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-2-(hydroxymethyl)-4-phenylmethoxy-oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-[(2R,3S,4R,5R,6R)-5-azido-4-benzyloxy-2-(hydroxymethyl)-6-[(1S,2S,3R,4S,5S,6R)-2,3,4-tribenzyloxy-5,6-dihydroxy-cyclohexoxy]tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4R,5R,6R)-5-azido-6-[(1S,2R,3S,4S,5R,6S)-2,3-dihydroxy-4,5,6-tris(phenylmethoxy)cyclohexyl]oxy-2-(hydroxymethyl)-4-phenylmethoxy-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R,6R)-5-azido-6-[(1S,2R,3S,4S,5R,6S)-2,3-dihydroxy-4,5,6-tris(phenylmethoxy)cyclohexyl]oxy-2-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-[(2R,3S,4R,5R,6R)-5-azido-4-benzoxy-2-methylol-6-[(1S,2S,3R,4S,5S,6R)-2,3,4-tribenzoxy-5,6-dihydroxy-cyclohexoxy]tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C54H63N3O19 MolecularWeight: 1058.08672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OCC3=CC=CC=C3)N=[N+]=[N-])OC4C(C(C(C(C4OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O)O)CO)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OCC3=CC=CC=C3)N=[N+]=[N-])O[C@H]4[C@@H]([C@@H]([C@@H]([C@H]([C@@H]4OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O)O)CO)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C54H63N3O19/c1-31(59)65-30-40-45(70-32(2)60)51(71-33(3)61)52(72-34(4)62)54(74-40)75-44-39(25-58)73-53(41(56-57-55)46(44)66-26-35-17-9-5-10-18-35)76-48-43(64)42(63)47(67-27-36-19-11-6-12-20-36)49(68-28-37-21-13-7-14-22-37)50(48)69-29-38-23-15-8-16-24-38/h5-24,39-54,58,63-64H,25-30H2,1-4H3/t39-,40-,41-,42+,43-,44-,45+,46-,47+,48+,49-,50-,51+,52-,53-,54+/m1/s1