4-{(2S,3S)-3-(3,5-Dihydroxyphenyl)-6-Hydroxy-4-[(E)-2-(4-Hydroxyphenyl)Vinyl]-2,3-Dihydro-1-Benzofuran-2-Yl}-1,2-Benzenediol

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Properties Simple | Detailed

Formula C28H22O7
IUPAC Name 5-[(2s,3s)-2-(3,4-dihydroxyphenyl)-6-hydroxy-4-[(e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Molecular Mass 470.470 g·mol−1
Heat of Formation -851.5 ± 16.7 kJ·mol−1
Dipole Moment 0.51 ± 1.08 D
Volume 541.98 Å 3
Surface Area 446.92 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(2s,3s)-2-(3,4-dihydroxyphenyl)-6-hydroxy-4-[(e)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-3-yl]benzene-1,3-diol
  • 5-[(2s,3s)-2-(3,4-dihydroxyphenyl)-6-hydroxy-4-[(e)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-3-yl]resorcinol
InChIKey VJVQHVVOEFJLIO-BQYFGGCBSA-N
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