2-[rel-(2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Chemical Structure Depiction of
2-[rel-(2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
2-[rel-(2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Compound characteristics
| Compound ID: | 8001-5614 |
| Compound Name: | 2-[rel-(2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione |
| Molecular Weight: | 309.29 |
| Molecular Formula: | C13 H11 N O6 S |
| Smiles: | C1C([C@@H]2OCC([C@H]1N1C(c3ccccc3S1(=O)=O)=O)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.2055 |
| logD: | -0.2055 |
| logSw: | -2.2656 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.124 |
| InChI Key: | ZNMYEXIBTAYDLI-VUXOTQQHSA-N |