[(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-diacetyloxy-2-(iodanylmethyl)oxan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-diacetyloxy-2-(iodanylmethyl)oxan-3-yl] ethanoate Openeye Name: [(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dibenzyloxy-2-(benzyloxymethyl)tetrahydropyran-3-yl]oxy-4,5-diacetoxy-2-(iodomethyl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4S,5R,6R)-6-[[(2R,3S,4R,5R,6S)-5-acetamido-4,6-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-4,5-diacetyloxy-2-(iodomethyl)-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-diacetyloxy-2-(iodomethyl)oxan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dibenzoxy-2-(benzoxymethyl)tetrahydropyran-3-yl]oxy-4,5-diacetoxy-2-(iodomethyl)tetrahydropyran-3-yl] ester Formula: C41H48INO13 MolecularWeight: 889.72319

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)COCC3=CC=CC=C3)OC4C(C(C(C(O4)CI)OC(=O)C)OC(=O)C)OC(=O)C)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CI)OC(=O)C)OC(=O)C)OC(=O)C)OCC5=CC=CC=C5

InChI

InChI=1S/C41H48INO13/c1-25(44)43-34-37(49-22-30-16-10-6-11-17-30)36(56-41-39(53-28(4)47)38(52-27(3)46)35(51-26(2)45)32(20-42)54-41)33(24-48-21-29-14-8-5-9-15-29)55-40(34)50-23-31-18-12-7-13-19-31/h5-19,32-41H,20-24H2,1-4H3,(H,43,44)/t32-,33-,34-,35-,36-,37-,38+,39-,40+,41+/m1/s1