[(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(3-azidopropoxy)-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(3-azidopropoxy)-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] ethanoate Openeye Name: [(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5R,6R)-3-acetoxy-4,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-6-(3-azidopropoxy)-3,5-dibenzyloxy-tetrahydropyran-2-yl]methoxy]-4,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-4-[[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-6-(3-azidopropoxy)-3,5-bis(phenylmethoxy)-2-oxanyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(3-azidopropoxy)-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5R,6R)-3-acetoxy-4,5-dibenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-6-(3-azidopropoxy)-3,5-dibenzoxy-tetrahydropyran-2-yl]methoxy]-4,5-dibenzoxy-6-(benzoxymethyl)tetrahydropyran-3-yl] ester Formula: C81H89N3O18 MolecularWeight: 1392.58266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1OCC2C(C(C(C(O2)OCCCN=[N+]=[N-])OCC3=CC=CC=C3)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C)OCC8=CC=CC=C8)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)O[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OCCCN=[N+]=[N-])OCC3=CC=CC=C3)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C)OCC8=CC=CC=C8)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C81H89N3O18/c1-57(85)97-77-73(93-51-64-38-21-8-22-39-64)70(90-48-61-32-15-5-16-33-61)67(54-87-46-59-28-11-3-12-29-59)99-80(77)96-56-69-72(92-50-63-36-19-7-20-37-63)75(76(95-53-66-42-25-10-26-43-66)79(100-69)89-45-27-44-83-84-82)102-81-78(98-58(2)86)74(94-52-65-40-23-9-24-41-65)71(91-49-62-34-17-6-18-35-62)68(101-81)55-88-47-60-30-13-4-14-31-60/h3-26,28-43,67-81H,27,44-56H2,1-2H3/t67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,79+,80+,81-/m1/s1