2-Acetyl-4-Hydroxyphenyl β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C14H18O8
IUPAC Name 1-[5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone
Molecular Mass 314.288 g·mol−1
Heat of Formation -1339.9 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 359.02 Å 3
Surface Area 297.39 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]ethanone
  • 1-[5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
  • 1-[5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone
  • 1-[5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethanone
  • 1-[5-hydroxy-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone
  • 2-o-glucosyl-5-hydroxyacetophenone
  • bungeiside a
  • bungeiside-a
  • ethanone, 1-(2-(beta-d-glucopyranosyloxy)-5-hydroxyphenyl)-
CAS Number(s)
  • 149475-52-5
InChIKey GXBCTYRBTGLIQW-RKQHYHRCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O