1-Thio-B-D-Glucose Tetraacetate

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Properties Simple | Detailed

Formula C14H20O9S
IUPAC Name [(2r,3r,4s,5r,6s)-3,4,5-triacetoxy-6-sulfanyl-tetrahydropyran-2-yl]methyl acetate
Molecular Mass 364.368 g·mol−1
Heat of Formation -1711.5 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 403.54 Å 3
Surface Area 339.12 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1-thio-beta-d-glucose 2,3,4,6-tetraacetate
  • 1-thio-beta-d-glucose tetraacetate
  • 2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose
  • 2,3,4,6-tetra-o-acetyl-1-thio-beta-glucopyranose
  • [(2r,3r,4s,5r,6s)-4,5-diacetoxy-2-(acetoxymethyl)-6-sulfanyl-tetrahydropyran-3-yl] acetate
  • [(2r,3r,4s,5r,6s)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-sulfanyl-oxan-3-yl] ethanoate
  • [(2r,3r,4s,5r,6s)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-sulfanyloxan-3-yl] acetate
  • acetic acid [(2r,3r,4s,5r,6s)-4,5-diacetoxy-2-(acetoxymethyl)-6-mercapto-3-tetrahydropyranyl] ester
  • acetic acid [(2r,3r,4s,5r,6s)-4,5-diacetoxy-2-(acetoxymethyl)-6-mercapto-tetrahydropyran-3-yl] ester
  • beta-d-glucopyranose, 1-thio-, 2,3,4,6-tetraacetate
CAS Number(s)
  • 28878-90-2
InChIKey SFOZKJGZNOBSHF-RGDJUOJXSA-N
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