methyl (2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-[(2R,3S,4R,5R,6S)-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxy-oxan-3-yl]oxy-4-phenylmethoxy-oxane-2-carboxylate

Systemtic Name: methyl (2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-[(2R,3S,4R,5R,6S)-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxy-oxan-3-yl]oxy-4-phenylmethoxy-oxane-2-carboxylate Openeye Name: methyl (2R,3S,4S,5R,6R)-3,5-diacetoxy-6-[(2R,3S,4R,5R,6S)-6-allyloxy-5-azido-4-benzyloxy-2-(benzyloxymethyl)tetrahydropyran-3-yl]oxy-4-benzyloxy-tetrahydropyran-2-carboxylate CAS Name: (2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-[[(2R,3S,4R,5R,6S)-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxy-3-oxanyl]oxy]-4-phenylmethoxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-[(2R,3S,4R,5R,6S)-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-4-phenylmethoxyoxane-2-carboxylate Traditional Name: (2R,3S,4S,5R,6R)-3,5-diacetoxy-6-[(2R,3S,4R,5R,6S)-6-allyloxy-5-azido-4-benzoxy-2-(benzoxymethyl)tetrahydropyran-3-yl]oxy-4-benzoxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C41H47N3O13 MolecularWeight: 789.82418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1C(=O)OC)OC2C(OC(C(C2OCC3=CC=CC=C3)N=[N+]=[N-])OCC=C)COCC4=CC=CC=C4)OC(=O)C)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1C(=O)OC)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OCC3=CC=CC=C3)N=[N+]=[N-])OCC=C)COCC4=CC=CC=C4)OC(=O)C)OCC5=CC=CC=C5

InChI

InChI=1S/C41H47N3O13/c1-5-21-50-40-32(43-44-42)34(51-23-29-17-11-7-12-18-29)33(31(55-40)25-49-22-28-15-9-6-10-16-28)56-41-38(54-27(3)46)35(52-24-30-19-13-8-14-20-30)36(53-26(2)45)37(57-41)39(47)48-4/h5-20,31-38,40-41H,1,21-25H2,2-4H3/t31-,32-,33-,34-,35+,36+,37-,38-,40+,41-/m1/s1