2-(3,4-Dihydroxyphenyl)Ethyl 6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C23H26O11
IUPAC Name [(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 478.446 g·mol−1
Heat of Formation -1765.9 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 537.87 Å 3
Surface Area 411.25 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid [(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl ester
  • [(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxy-oxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • acon1_000407
  • beta-d-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 6-o-[(2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-
  • calceolarioside b
  • megxp0_000508
InChIKey LFKQVVDFNHDYNK-FOXCETOMSA-N
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