4-Chlorophenyl 1-Thio-β-D-Xylopyranoside

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Properties Simple | Detailed

Formula C11H13ClO4S
IUPAC Name (2s,3r,4s,5r)-2-(4-chlorophenyl)sulfanyltetrahydropyran-3,4,5-triol
Molecular Mass 276.737 g·mol−1
Heat of Formation -661.9 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 294.77 Å 3
Surface Area 267.83 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5r)-2-(4-chlorophenyl)sulfanyloxane-3,4,5-triol
  • (2s,3r,4s,5r)-2-(4-chlorophenyl)sulfanyltetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5r)-2-[(4-chlorophenyl)thio]tetrahydropyran-3,4,5-triol
  • beta-d-xylopyranoside, 4-chlorophenyl 1-thio-
  • p-chlorophenyl 1-thio-beta-d-xylopyranoside
CAS Number(s)
  • 67803-92-3
InChIKey FHOMFIABPQHORF-YTWAJWBKSA-N
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Elements H S C O Cl