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

Systemtic Name: [(2S,3R,4S,6S)-4-azido-6-(hydroxymethyl)-2-phenylsulfanyl-oxan-3-yl] 2,2-dimethylpropanoate Openeye Name: [(2S,3R,4S,6S)-4-azido-6-(hydroxymethyl)-2-phenylsulfanyl-tetrahydropyran-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S,3R,4S,6S)-4-azido-6-(hydroxymethyl)-2-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,6S)-4-azido-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S,3R,4S,6S)-4-azido-6-methylol-2-(phenylthio)tetrahydropyran-3-yl] ester Formula: C17H23N3O4S MolecularWeight: 365.44722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1C(CC(OC1SC2=CC=CC=C2)CO)N=[N+]=[N-]

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-17(2,3)16(22)24-14-13(19-20-18)9-11(10-21)23-15(14)25-12-7-5-4-6-8-12/h4-8,11,13-15,21H,9-10H2,1-3H3/t11-,13-,14+,15-/m0/s1