4H-1-Benzopyran-4-One, 6,8-Di-β-D-Galactopyranosyl-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,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 594.518 g·mol−1
Heat of Formation -2569.7 ± 16.7 kJ·mol−1
Dipole Moment 9.82 ± 1.08 D
Volume 625.32 Å 3
Surface Area 503.81 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2s,3r,4r,5r,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,5r,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,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
  • 6,8-di-c-galactopyranosyl-apigenin
  • apigenin 6,8-digalactoside
CAS Number(s)
  • 82043-11-6
InChIKey FIAAVMJLAGNUKW-GSVBVEKMSA-N
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