(3R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Oxy}-1,4,5-Trihydroxycyclohexanecarboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H18O9 |
| IUPAC Name | (1r,3s,4s,5r)-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid |
| Molecular Mass | 354.309 g·mol−1 |
| Heat of Formation | -1547.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.92 ± 1.08 D |
| Volume | 385.62 Å 3 |
| Surface Area | 345.24 Å 2 |
| HOMO Energy | -9.24 ± 0.55 eV |
| LUMO Energy | -1.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CWVRJTMFETXNAD-DIKPXSMKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |