3,3',4',5,7-Pentahydroxyflavone 3-B-D-Glucofuranoside

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Properties Simple | Detailed

Formula C21H20O12
IUPAC Name 3-[(2s,3r,4r,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
Molecular Mass 464.376 g·mol−1
Heat of Formation -1908.3 ± 16.7 kJ·mol−1
Dipole Moment 11.28 ± 1.08 D
Volume 480.12 Å 3
Surface Area 394.12 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-3-(beta-d-glucofuranosyloxy)-5,7-dihydroxy-4h-1-benzopyran-4-one
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl beta-d-glucofuranoside
  • 3,3',4',5,7-pentahydroxyflavone 3-beta-d-glucofuranoside
  • 3-[(2s,3r,4r,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
  • 3-[(2s,3r,4r,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
  • 3-[(2s,3r,4r,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone
  • 3-[[(2s,3r,4r,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-tetrahydrofuranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-d-glucofuranosyloxy)-5,7-dihydroxy-
  • flavone, 3,3',4',5,7-pentahydroxy-, 3-beta-d-glucofuranoside
  • isoquercitroside
  • isotrifolin
  • quercetin 3-o-beta-d-glucoside
InChIKey OPJZLUXFQFQYAI-GNPVFZCLSA-N
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