(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(1-phenylethylsulfanyloxy)oxan-2-olate

Systemtic Name: (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(1-phenylethylsulfanyloxy)oxan-2-olate Openeye Name: (2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(1-phenylethylsulfanyloxy)tetrahydropyran-2-olate CAS Name: (2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(1-phenylethylthio)oxy-2-oxanolate IUPAC Name: (2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(1-phenylethylsulfanyloxy)oxan-2-olate Traditional Name: (2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methylol-3-(1-phenylethylthio)oxy-tetrahydropyran-2-olate Formula: C14H19O6S- MolecularWeight: 315.36206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SOC2C(C(C(OC2[O-])CO)O)O

Isomeric SMILES

CC(C1=CC=CC=C1)SO[C@@H]2[C@H]([C@H]([C@H](O[C@H]2[O-])CO)O)O

InChI

InChI=1S/C14H19O6S/c1-8(9-5-3-2-4-6-9)21-20-13-12(17)11(16)10(7-15)19-14(13)18/h2-6,8,10-17H,7H2,1H3/q-1/t8?,10-,11+,12+,13-,14-/m1/s1