2-Pyridinyl 2-Acetamido-3,4,6-Tri-O-Acetyl-2-Deoxy-1-Thio-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C19H24N2O8S
IUPAC Name [(2r,3s,4r,5r,6s)-5-acetamido-3,4-diacetoxy-6-(2-pyridylsulfanyl)tetrahydropyran-2-yl]methyl acetate
Molecular Mass 440.467 g·mol−1
Heat of Formation -1411.4 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 502.39 Å 3
Surface Area 408.2 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2-pyridyl 2-acetamido-3,4,6-tri-o-acetyl-2-deoxy-1-thioglucopyranoside
  • [(2r,3s,4r,5r,6s)-5-acetamido-3-acetoxy-2-(acetoxymethyl)-6-(2-pyridylsulfanyl)tetrahydropyran-4-yl] acetate
  • [(2r,3s,4r,5r,6s)-5-acetamido-3-acetyloxy-2-(acetyloxymethyl)-6-pyridin-2-ylsulfanyl-oxan-4-yl] ethanoate
  • [(2r,3s,4r,5r,6s)-5-acetamido-3-acetyloxy-2-(acetyloxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl] acetate
  • acetic acid [(2r,3s,4r,5r,6s)-5-acetamido-3-acetoxy-2-(acetoxymethyl)-6-(2-pyridylthio)tetrahydropyran-4-yl] ester
  • patad-1-thio-d-glucopyranoside
CAS Number(s)
  • 148731-71-9
InChIKey CIMMAOWKSJKPKK-SJQORLFUSA-N
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