Phenyl 4-C-[(E)-2-(3,5-Dihydroxyphenyl)Vinyl]-2-O-(3,4,5-Trihydroxybenzoyl)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H26O12
IUPAC Name [(2s,3r,4r,5s,6r)-5-[(e)-2-(3,5-dioxocyclohexen-1-yl)vinyl]-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenoxy)tetrahydropyran-3-yl] 3,4,5-trioxocyclohexene-1-carboxylate
Molecular Mass 542.488 g·mol−1
Heat of Formation -1801.3 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 600.03 Å 3
Surface Area 498.87 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4',5-tohs-2''-gglc
  • 3,4',5-trihydroxystilbene-4'-o-(2''-o-galloyl)glucopyranoside
  • 3,4,5-trihydroxybenzoic acid [(2s,3r,4r,5s,6r)-5-[(e)-2-(3,5-dihydroxyphenyl)vinyl]-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenoxy)-3-tetrahydropyranyl] ester
  • 3,4,5-trihydroxybenzoic acid [(2s,3r,4r,5s,6r)-5-[(e)-2-(3,5-dihydroxyphenyl)vinyl]-4,5-dihydroxy-6-methylol-2-(phenoxy)tetrahydropyran-3-yl] ester
  • [(2s,3r,4r,5s,6r)-5-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenoxy)oxan-3-yl] 3,4,5-trihydroxybenzoate
  • [(2s,3r,4r,5s,6r)-5-[(e)-2-(3,5-dihydroxyphenyl)vinyl]-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenoxy)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate
CAS Number(s)
  • 105304-51-6
InChIKey YVAPPPYBCIJACC-UBFVITNGSA-N
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