(1S,3R,4S,5R)-1,4-Bis{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Oxy}-3,5-Dihydroxycyclohexanecarboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C25H24O12
IUPAC Name (3r,5r)-1,4-bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxy-cyclohexanecarboxylic acid
Molecular Mass 516.451 g·mol−1
Heat of Formation -1860.1 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 566.43 Å 3
Surface Area 498.9 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
InChIKey IYXQRCXQQWUFQV-PSEXTPKNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O