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

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Properties Simple | Detailed

Formula C23H26O11
IUPAC Name [(2r,3s,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 478.446 g·mol−1
Heat of Formation -1734.2 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 544.68 Å 3
Surface Area 455.92 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid [(2r,3s,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl] ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2r,3s,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl] ester
  • [(2r,3s,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2r,3s,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • acon1_000369
  • beta-d-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 4-o-[(2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-
  • beta-d-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (e)-
  • calceolarioside a
  • megxp0_000507
CAS Number(s)
  • 84744-28-5
InChIKey UHIGZYLCYRQESL-VJWFJHQPSA-N
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