5-Allyl-2-Hydroxy-3-Methoxyphenyl 6-O-(3,4,5-Trihydroxybenzoyl)-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C23H26O12
IUPAC Name [(2r,3s,4s,5r,6s)-6-(5-allyl-2-hydroxy-3-methoxy-phenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Mass 494.445 g·mol−1
Heat of Formation -1857.9 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 570.02 Å 3
Surface Area 418.89 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trihydroxybenzoic acid [(2r,3s,4s,5r,6s)-6-(5-allyl-2-hydroxy-3-methoxy-phenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
  • 3,4,5-trihydroxybenzoic acid [(2r,3s,4s,5r,6s)-6-(5-allyl-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl ester
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-hydroxy-3-methoxy-5-prop-2-enyl-phenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-hydroxy-3-methoxy-5-prop-2-enylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
  • [(2r,3s,4s,5r,6s)-6-(5-allyl-2-hydroxy-3-methoxy-phenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
InChIKey LFQREKVEOMIWQF-JTLUYSSBSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O