(1R,4S,5R)-3-(1-Benzothiophen-2-Ylmethoxy)-1,4,5-Trihydroxy-2-(2-Thienylmethyl)-2-Cyclohexene-1-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H20O6S2 |
| IUPAC Name | (1r,4s,5r)-3-(benzothiophen-2-ylmethoxy)-1,4,5-trihydroxy-2-(2-thienylmethyl)cyclohex-2-ene-1-carboxylic acid |
| Molecular Mass | 432.510 g·mol−1 |
| Heat of Formation | -780.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.73 ± 1.08 D |
| Volume | 478.18 Å 3 |
| Surface Area | 388.75 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | 2.21 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ILDPLWRWUROBLZ-PLMTUMEDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O |