Chemical Component Summary

Name(2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
Identifiers(2R,3S,4R,5S)-N-(4-fluorophenyl)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)piperidine-1-carbothioamide
FormulaC13 H17 F N2 O4 S
Molecular Weight316.348
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1NC(=S)N2C[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)F
InChIInChI=1S/C13H17FN2O4S/c14-7-1-3-8(4-2-7)15-13(21)16-5-10(18)12(20)11(19)9(16)6-17/h1-4,9-12,17-20H,5-6H2,(H,15,21)/t9-,10+,11+,12-/m1/s1
InChIKeyWPBCEOLJVINCLL-NOOOWODRSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count4
Bond Count39
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 74331707