4-Acetylphenyl 6-O-β-D-Xylopyranosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C19H26O11
IUPAC Name 1-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxyphenyl]ethanone
Molecular Mass 430.403 g·mol−1
Heat of Formation -1958.7 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 472.93 Å 3
Surface Area 357.84 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone
  • 1-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxyphenyl]ethanone
  • 1-[4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]phenyl]ethanone
  • 4-o-priverosyl acetophenone
  • bungeiside c
  • bungeiside-c
  • ethanone, 1-(4-((6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)oxy)phenyl)-
CAS Number(s)
  • 149475-53-6
InChIKey YQOKGDRMWQLQNR-BMVMOQKNSA-N
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