2,3,4-Tri-O-Acetyl-N-(Thioxomethylene)-α-D-Arabinopyranosylamine

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Properties Simple | Detailed

Formula C12H15NO7S
IUPAC Name [(3r,4r,5s,6s)-4,5-diacetoxy-6-isothiocyanato-tetrahydropyran-3-yl] acetate
Molecular Mass 317.315 g·mol−1
Heat of Formation -1186.4 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 353.04 Å 3
Surface Area 299.7 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,4-tri-o-acetyl-alpha-d-arabinopyranosyl isothiocyanate
  • 2,3,4-tri-o-acetylarabinopyranosyl isothiocyanate
  • [(2s,3s,4r,5r)-3,5-diacetoxy-2-isothiocyanato-tetrahydropyran-4-yl] acetate
  • [(2s,3s,4r,5r)-3,5-diacetyloxy-2-isothiocyanato-oxan-4-yl] ethanoate
  • acetic acid [(2s,3s,4r,5r)-3,5-diacetoxy-2-isothiocyanato-4-tetrahydropyranyl] ester
  • acetic acid [(2s,3s,4r,5r)-3,5-diacetoxy-2-isothiocyanato-tetrahydropyran-4-yl] ester
  • alpha-d-arabinopyranosyl isothiocyanate, 2,3,4-triacetate
CAS Number(s)
  • 62414-75-9
InChIKey RCHZRAFPHKCWRI-WYUUTHIRSA-N
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