3-(3-Hydroxy-4-Methoxyphenyl)-4-Oxo-4H-Chromen-7-Yl β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C22H22O10
IUPAC Name 3-(3-hydroxy-4-methoxy-phenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 446.404 g·mol−1
Heat of Formation -1449.3 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 491.71 Å 3
Surface Area 421.58 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-hydroxy-4'-methoxyisoflavone-7-o-beta-d-glucoside
  • 3-(3-hydroxy-4-methoxy-phenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 3-(3-hydroxy-4-methoxy-phenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 3-(3-hydroxy-4-methoxy-phenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 3-(3-hydroxy-4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 3-(3-hydroxy-4-methoxyphenyl)-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
InChIKey WACBUPFEGWUGPB-MIUGBVLSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O