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

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Properties Simple | Detailed

Formula C23H26O9
IUPAC Name [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Mass 446.447 g·mol−1
Heat of Formation -1434.9 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 522.88 Å 3
Surface Area 388.0 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxyphenyl)acrylic acid [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-2-yl]methyl ester
  • (e)-3-(4-hydroxyphenyl)prop-2-enoic acid [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]-2-tetrahydropyranyl]methyl ester
  • [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
InChIKey CACGKEKIUJWMQD-XLWWBJCMSA-N
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