(2S,3R,4S,5R)-2-(Acetoxysulfanyl)-5-Isobutyltetrahydro-2H-Pyran-3,4-Diyl Diacetate

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Properties Simple | Detailed

Formula C15H24O7S
IUPAC Name [(2s,3r,4s,5r)-3-acetoxy-2-acetoxysulfanyl-5-isobutyl-tetrahydropyran-4-yl] acetate
Molecular Mass 348.412 g·mol−1
Heat of Formation -1379.6 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 416.94 Å 3
Surface Area 347.23 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4s,5r)-3-acetoxy-2-acetoxysulfanyl-5-isobutyl-tetrahydropyran-4-yl] acetate
  • [(2s,3r,4s,5r)-3-acetyloxy-2-acetyloxysulfanyl-5-(2-methylpropyl)oxan-4-yl] acetate
  • [(2s,3r,4s,5r)-3-acetyloxy-2-acetyloxysulfanyl-5-(2-methylpropyl)oxan-4-yl] ethanoate
  • acetic acid [(2s,3r,4s,5r)-3-acetoxy-2-(acetoxythio)-5-isobutyl-4-tetrahydropyranyl] ester
  • acetic acid [(2s,3r,4s,5r)-3-acetoxy-2-(acetoxythio)-5-isobutyl-tetrahydropyran-4-yl] ester
  • isobutyl 2,3,4-tri-o-acetyl-1-thio-beta-xylopyranoside
  • itatxp
CAS Number(s)
  • 102255-04-9
InChIKey MIBIQVFTNXEIMM-BARDWOONSA-N
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