(1R,2R,4S,5R)-1,4,5-Trihydroxy-2-(4-Methoxybenzyl)-3-Oxocyclohexanecarboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H18O7 |
| IUPAC Name | (1r,2s,4s,5r)-1,4,5-trihydroxy-2-[(4-methoxyphenyl)methyl]-3-oxo-cyclohexanecarboxylic acid |
| Molecular Mass | 310.299 g·mol−1 |
| Heat of Formation | -1207.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.95 ± 1.08 D |
| Volume | 348.35 Å 3 |
| Surface Area | 295.43 Å 2 |
| HOMO Energy | -8.97 ± 0.55 eV |
| LUMO Energy | 3.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KDOXKRDIRCHNDT-UQFNBPPOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |