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

Systemtic Name: [(2R,3S,4R,5R,6R)-4-acetyloxy-5-azido-2-(hydroxymethyl)-6-phenylsulfanyl-oxan-3-yl] ethanoate Openeye Name: [(2R,3S,4R,5R,6R)-4-acetoxy-5-azido-2-(hydroxymethyl)-6-phenylsulfanyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3S,4R,5R,6R)-4-acetyloxy-5-azido-2-(hydroxymethyl)-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6R)-4-acetyloxy-5-azido-2-(hydroxymethyl)-6-phenylsulfanyloxan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6R)-4-acetoxy-5-azido-2-methylol-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C16H19N3O6S MolecularWeight: 382.396215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](O[13C@@H]([C@@H]([C@H]1OC(=O)C)N=[N+]=[N-])SC2=CC=CC=C2)CO

InChI

InChI=1S/C16H19N3O6S/c1-9(21)23-14-12(8-20)25-16(26-11-6-4-3-5-7-11)13(18-19-17)15(14)24-10(2)22/h3-7,12-16,20H,8H2,1-2H3/t12-,13-,14-,15-,16-/m1/s1/i16+1