[(2S,3R,4R,5R,6S)-4-Hydroxy-2-(Hydroxymethyl)-5,6-Dimethoxy-Tetrahydropyran-3-Yl] 3,5-Dichloro-2-Ethyl-4,6-Dihydroxy-Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C17H22Cl2O9 |
| IUPAC Name | [(2s,3r,4r,5r,6s)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethoxy-tetrahydropyran-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxy-benzoate |
| Molecular Mass | 441.257 g·mol−1 |
| Heat of Formation | -1670.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.37 ± 1.08 D |
| Volume | 454.65 Å 3 |
| Surface Area | 377.69 Å 2 |
| HOMO Energy | -9.54 ± 0.55 eV |
| LUMO Energy | -1.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CKYBFDYSMANLEC-WQJCZZFJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Cl |