8-β-D-Glucopyranosyl-7-Hydroxy-3-(4-Methoxyphenyl)-4H-1-Benzopyran-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C22H22O9
IUPAC Name 7-hydroxy-3-(4-methoxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 430.405 g·mol−1
Heat of Formation -1335.5 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 470.44 Å 3
Surface Area 403.63 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 4'-methoxypuerarin
  • 4h-1-benzopyran-4-one, 8-beta-d-glucopyranosyl-7-hydroxy-3-(4-methoxyphenyl)-
  • 7-hydroxy-3-(4-methoxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone
  • 7-hydroxy-3-(4-methoxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
  • 7-hydroxy-3-(4-methoxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
  • 7-hydroxy-3-(4-methoxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
CAS Number(s)
  • 92117-94-7
InChIKey UWRLUNPRLSNXRR-PGPONNFDSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O