(2R,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-Dihydro-2H-Chromen-3-Yl 3,4,5-Trihydroxybenzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C22H18O9
IUPAC Name [(2r,3r)-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate
Molecular Mass 426.373 g·mol−1
Heat of Formation -1294.0 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 458.78 Å 3
Surface Area 342.81 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trihydroxybenzoic acid [(2r,3r)-2-(3,4,5-trihydroxyphenyl)-3-chromanyl] ester
  • 3,4,5-trihydroxybenzoic acid [(2r,3r)-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] ester
  • [(2r,3r)-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate
InChIKey HRGYLZQOFUEQLO-WIYYLYMNSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O