(3E)-3-Hexen-1-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C12H22O6
IUPAC Name (2r,3r,4s,5s,6r)-2-[(e)-hex-3-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 262.299 g·mol−1
Heat of Formation -1123.8 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 319.68 Å 3
Surface Area 270.03 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[(e)-hex-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(e)-hex-3-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(e)-hex-3-enoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (e)-2-hexenyl-beta-d-glucopyranoside
  • 3-hexenyl-beta-d-glucopyranoside
  • 3-hexenyl-beta-glucopyranoside
  • beta-d-glucopyranoside, 3-hexenyl, (z)-
CAS Number(s)
  • 95632-87-4
InChIKey OZIPFYKAIOOVEJ-WQPBHKFLSA-N
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