5-Hydroxy-4-Oxo-2-Phenyl-4H-Chromen-7-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C21H20O9
IUPAC Name 5-hydroxy-2-phenyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 416.378 g·mol−1
Heat of Formation -1357.1 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 453.16 Å 3
Surface Area 392.3 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 7-(beta-d-glucopyranosyloxy)-5-hydroxy-2-phenyl-
  • 5,7-dihydroxyflavone-7beta-monoglucoside
  • 5-hydroxy-2-phenyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 5-hydroxy-2-phenyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 5-hydroxy-2-phenyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 5-hydroxy-2-phenyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 5-hydroxy-2-phenyl-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • chrysin-7beta-monoglucoside
CAS Number(s)
  • 31025-53-3
InChIKey PIJHQWMTZXDYER-QNDFHXLGSA-N
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