[(2S,3R,4S,5R,6R)-4-acetyloxy-6-(hydroxymethyl)-5-oxidanyl-2-phenylsulfanyl-oxan-3-yl] 4-azidobutanoate

Systemtic Name: [(2S,3R,4S,5R,6R)-4-acetyloxy-6-(hydroxymethyl)-5-oxidanyl-2-phenylsulfanyl-oxan-3-yl] 4-azidobutanoate Openeye Name: [(2S,3R,4S,5R,6R)-4-acetoxy-5-hydroxy-6-(hydroxymethyl)-2-phenylsulfanyl-tetrahydropyran-3-yl] 4-azidobutanoate CAS Name: 4-azidobutanoic acid [(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-2-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl] 4-azidobutanoate Traditional Name: 4-azidobutyric acid [(2S,3R,4S,5R,6R)-4-acetoxy-5-hydroxy-6-methylol-2-(phenylthio)tetrahydropyran-3-yl] ester Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)CCCN=[N+]=[N-])SC2=CC=CC=C2)CO)O

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)CCCN=[N+]=[N-])SC2=CC=CC=C2)CO)O

InChI

InChI=1S/C18H23N3O7S/c1-11(23)26-16-15(25)13(10-22)27-18(29-12-6-3-2-4-7-12)17(16)28-14(24)8-5-9-20-21-19/h2-4,6-7,13,15-18,22,25H,5,8-10H2,1H3/t13-,15-,16+,17-,18+/m1/s1