2-(3,4-Dihydroxyphenyl)-7-(β-D-Glucopyranosyloxy)-5-Hydroxy-4-Oxo-4H-Chromen-3-Yl β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C27H31O17+
IUPAC Name 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 627.525 g·mol−1
Heat of Formation -2773.5 ± 16.7 kJ·mol−1
Dipole Moment 7.84 ± 1.08 D
Volume 663.91 Å 3
Surface Area 529.18 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-3-(beta-d-galactopyranosyloxy)-7-(beta-d-glucopyranosyloxy)-5-hydroxy-4h-1-benzopyran-4-one
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-d-galactopyranosyloxy)-7-(beta-d-glucopyranosyloxy)-5-hydroxy-
  • q-gal-glu
  • quercetin-3-o-galactoside-7-o-glucoside
CAS Number(s)
  • 56782-99-1
InChIKey BNSCASRSSGJHQH-JGVBUXILSA-N
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