4H-1-Benzopyran-4-One, 6,8-Di-β-D-Glucopyranosyl-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-

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Properties Simple | Detailed

Formula C27H30O15
IUPAC Name 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 594.518 g·mol−1
Heat of Formation -2550.6 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 636.12 Å 3
Surface Area 508.5 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7,4'-trihydroxyflavone-6,8-di-c-glucoside
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
  • apigenin-6,8-di-c-glycoside
  • vicenin-2
CAS Number(s)
  • 23666-13-9
InChIKey FIAAVMJLAGNUKW-VQVVXJKKSA-N
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