4-{(2R,3R)-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 C26H10O7
IUPAC Name 5-[(2r,3r)-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 434.353 g·mol−1
Heat of Formation -851.3 ± 16.7 kJ·mol−1
Dipole Moment 0.70 ± 1.08 D
Volume 541.4 Å 3
Surface Area 446.77 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (trans)-1,2-benzenediol, 4-[(2r,3r)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-4-[(e)-2-(4-hydroxyphenyl)ethenyl]-2-benzofuranyl]-
  • 5-[(2r,3r)-2-(3,4-dihydroxyphenyl)-6-hydroxy-4-[(e)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-3-yl]benzene-1,3-diol
  • 5-[(2r,3r)-2-(3,4-dihydroxyphenyl)-6-hydroxy-4-[(e)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-3-yl]resorcinol
InChIKey VJVQHVVOEFJLIO-YVYUXZJTSA-N
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