1-O-B-D-Glucopyranosyl Sinapate

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Properties Simple | Detailed

Formula C17H22O10
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (e)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate
Molecular Mass 386.351 g·mol−1
Heat of Formation -1610.7 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 426.58 Å 3
Surface Area 391.37 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl beta-d-glucopyranoside
  • (e)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
  • (e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester
  • 1-o-sinapoyl beta-d-glucoside
  • 1-o-sinapoyl-beta-d-glucose
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (e)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (e)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate
InChIKey XRKBRPFTFKKHEF-DGDBGZAXSA-N
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