4',7-Dihydroxy-6-Methoxyisoflavone-7-D-Glucoside

Molecule SVG Image

Properties Simple | Detailed

Formula C22H23O10+
IUPAC Name 3-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 447.412 g·mol−1
Heat of Formation -1434.5 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 495.15 Å 3
Surface Area 414.12 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 3-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 3-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 3-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 3-(4-hydroxyphenyl)-6-methoxy-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • glycitein 7-o-glucoside
  • glycitin
CAS Number(s)
  • 40246-10-4
InChIKey OZBAVEKZGSOMOJ-MIUGBVLSSA-N
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