3-Hydroxy-2-[3-(4-Hydroxyphenyl)Propanoyl]-5-Methoxyphenyl β-L-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C22H26O10
IUPAC Name 1-[2-hydroxy-4-methoxy-6-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
Molecular Mass 450.436 g·mol−1
Heat of Formation -1657.5 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 512.79 Å 3
Surface Area 384.05 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-hydroxy-4-methoxy-6-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[2-hydroxy-4-methoxy-6-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[2-hydroxy-4-methoxy-6-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[2-hydroxy-4-methoxy-6-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[2-hydroxy-4-methoxy-6-[[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-propanone, 1-(2-(beta-d-glucopyranosyloxy)-6-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-
  • asebotin
InChIKey PQCIBORQLVRFMR-OCVXTVMPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O