(2R,3R)-2-(3,5-Dihydroxy-4-Methoxyphenyl)-5,7-Dihydroxy-3,4-Dihydro-2H-Chromen-3-Yl 3,5-Dihydroxy-4-Methoxybenzoate

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Formula C24H22O11
IUPAC Name [(2r,3r)-2-(3,5-dihydroxy-4-methoxy-phenyl)-5,7-dihydroxy-chroman-3-yl] 3,5-dihydroxy-4-methoxy-benzoate
Molecular Mass 486.425 g·mol−1
Heat of Formation -1613.5 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 532.33 Å 3
Surface Area 436.82 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-dihydroxy-4-methoxy-benzoic acid [(2r,3r)-2-(3,5-dihydroxy-4-methoxy-phenyl)-5,7-dihydroxy-chroman-3-yl] ester
  • 3,5-dihydroxy-4-methoxybenzoic acid [(2r,3r)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-chromanyl] ester
  • [(2r,3r)-2-(3,5-dihydroxy-4-methoxy-phenyl)-5,7-dihydroxy-chroman-3-yl] 3,5-dihydroxy-4-methoxy-benzoate
  • [(2r,3r)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxychroman-3-yl] 3,5-dihydroxy-4-methoxybenzoate
InChIKey HFWSXNDMKGHKRD-NHCUHLMSSA-N
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