2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4H-Chromen-3-Yl 2-O-(3,4,5-Trihydroxybenzoyl)-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C28H24O16
IUPAC Name [(2s,3r,4s,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate
Molecular Mass 616.481 g·mol−1
Heat of Formation -2505.7 ± 16.7 kJ·mol−1
Dipole Moment 7.50 ± 1.08 D
Volume 640.53 Å 3
Surface Area 490.17 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trihydroxybenzoic acid [(2s,3r,4s,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl] ester
  • 3,4,5-trihydroxybenzoic acid [(2s,3r,4s,5r,6r)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-chromenyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl] ester
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-o-(3,4,5-trihydroxybenzoyl)-beta-d-galactosyl)oxy)-
  • [(2s,3r,4s,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
  • [(2s,3r,4s,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate
  • quercetin 3-o-(2'-galloyl)-beta-d-galactopyranoside
CAS Number(s)
  • 56552-82-0
InChIKey PXGWEUQZDRUMRE-UNZYZCBSSA-N
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