(1R,2R,4S,5R)-2-(1-Benzothiophen-5-Ylmethyl)-1,4,5-Trihydroxy-3-Oxocyclohexanecarboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H16O6S |
| IUPAC Name | (1r,2r,4s,5r)-2-(1-benzothiophen-5-ylmethyl)-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid |
| Molecular Mass | 336.360 g·mol−1 |
| Heat of Formation | -964.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.36 ± 1.08 D |
| Volume | 368.1 Å 3 |
| Surface Area | 315.48 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | 2.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WFQJMZIPFQUOBR-FJXFWJLJSA-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 |