3,5,7-Trihydroxy-2-[(2R,3R)-3-(4-Hydroxy-3-Methoxyphenyl)-2-(Hydroxymethyl)-2,3-Dihydro-1,4-Benzodioxin-6-Yl]-4H-Chromen-4-One

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Formula C25H20O10
IUPAC Name 3,5,7-trihydroxy-2-[(2r,3r)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
Molecular Mass 480.420 g·mol−1
Heat of Formation -1295.0 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 512.8 Å 3
Surface Area 446.48 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one
  • 3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-methylol-2,3-dihydro-1,4-benzodioxin-7-yl]chromone
  • 3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-chromenone
  • 3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one
InChIKey BVKQRAYKLBRNIK-HYBUGGRVSA-N
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