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Formula C15H19NO9S
IUPAC Name [(2r,3r,4s,5r,6r)-3,4,5-triacetoxy-6-isothiocyanato-tetrahydropyran-2-yl]methyl acetate
Molecular Mass 389.378 g·mol−1
Heat of Formation -1559.4 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 433.77 Å 3
Surface Area 367.51 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,4,6-tetra-o-acetyl-.beta.-d-glucopyranosyl isothiocyanate
  • 2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl isothiocyanate
  • 2,3,4,6-tetra-o-acetylglucopyranosylisothiocyanate
  • [(2r,3r,4s,5r,6r)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanato-tetrahydropyran-3-yl] acetate
  • [(2r,3r,4s,5r,6r)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-isothiocyanato-oxan-3-yl] ethanoate
  • [(2r,3r,4s,5r,6r)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-isothiocyanatooxan-3-yl] acetate
  • acetic acid [(2r,3r,4s,5r,6r)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanato-3-tetrahydropyranyl] ester
  • acetic acid [(2r,3r,4s,5r,6r)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanato-tetrahydropyran-3-yl] ester
  • beta-d-glucopyranosyl isothiocyanate, 2,3,4,6-tetraacetate
  • gitc
CAS Number(s)
  • 121307-77-5
InChIKey WOWNQYXIQWQJRJ-UXXRCYHCSA-N
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