rel-(1R,4R,5R,6R)-4-(hydroxymethyl)-6-(thiophene-2-carbonyl)-3-oxabicyclo[3.1.0]hexan-2-one
Chemical Structure Depiction of
rel-(1R,4R,5R,6R)-4-(hydroxymethyl)-6-(thiophene-2-carbonyl)-3-oxabicyclo[3.1.0]hexan-2-one
rel-(1R,4R,5R,6R)-4-(hydroxymethyl)-6-(thiophene-2-carbonyl)-3-oxabicyclo[3.1.0]hexan-2-one
Compound characteristics
| Compound ID: | 8019-9375 |
| Compound Name: | rel-(1R,4R,5R,6R)-4-(hydroxymethyl)-6-(thiophene-2-carbonyl)-3-oxabicyclo[3.1.0]hexan-2-one |
| Molecular Weight: | 238.26 |
| Molecular Formula: | C11 H10 O4 S |
| Smiles: | [H][C@@]12C(=O)O[C@H](CO)[C@@]2([H])[C@@H]1C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2564 |
| logD: | 1.2556 |
| logSw: | -1.6205 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.411 |
| InChI Key: | VQPGXOMCEYPNOC-JYFAAPFMSA-N |