(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3,4-Dihydro-2H-Chromen-3-Yl (2E)-3-(4-Hydroxyphenyl)Acrylate

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Formula C24H20O8
IUPAC Name [(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Mass 436.411 g·mol−1
Heat of Formation -1082.6 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 485.18 Å 3
Surface Area 427.21 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxyphenyl)acrylic acid [(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester
  • (e)-3-(4-hydroxyphenyl)prop-2-enoic acid [(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester
  • [(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
InChIKey JXWZBKRACXAWSZ-CBYBIVNNSA-N
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