2,5-anhydro-4-deoxy-3-C-methyl-5-phenyl-2-thiopentonic acid
Chemical Structure Depiction of
2,5-anhydro-4-deoxy-3-C-methyl-5-phenyl-2-thiopentonic acid
2,5-anhydro-4-deoxy-3-C-methyl-5-phenyl-2-thiopentonic acid
Compound characteristics
| Compound ID: | 8017-2625 |
| Compound Name: | 2,5-anhydro-4-deoxy-3-C-methyl-5-phenyl-2-thiopentonic acid |
| Molecular Weight: | 238.3 |
| Molecular Formula: | C12 H14 O3 S |
| Smiles: | CC1(CC(c2ccccc2)SC1C(O)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9347 |
| logD: | -1.1324 |
| logSw: | -2.19 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.258 |
| InChI Key: | YMQZLPSBXBXWNW-UHFFFAOYSA-N |