β-Gastrodin

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Formula C13H18O7
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol
Molecular Mass 286.278 g·mol−1
Heat of Formation -1167.8 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 328.47 Å 3
Surface Area 291.67 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-methylol-6-(4-methylolphenoxy)tetrahydropyran-3,4,5-triol
  • bb_nc-1038
  • beta-d-glucopyranoside, 4-(hydroxymethyl)phenyl
  • gastrodin
  • gastrodine
CAS Number(s)
  • 62499-27-8
InChIKey PUQSUZTXKPLAPR-UJPOAAIJSA-N
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