rel-(4R,5R)-5-(hydroxymethyl)-4-(4-nitro-1H-pyrazol-1-yl)oxolan-2-one
Chemical Structure Depiction of
rel-(4R,5R)-5-(hydroxymethyl)-4-(4-nitro-1H-pyrazol-1-yl)oxolan-2-one
rel-(4R,5R)-5-(hydroxymethyl)-4-(4-nitro-1H-pyrazol-1-yl)oxolan-2-one
Compound characteristics
| Compound ID: | 8019-8642 |
| Compound Name: | rel-(4R,5R)-5-(hydroxymethyl)-4-(4-nitro-1H-pyrazol-1-yl)oxolan-2-one |
| Molecular Weight: | 227.17 |
| Molecular Formula: | C8 H9 N3 O5 |
| Smiles: | C1C(=O)O[C@H](CO)[C@H]1n1cc(cn1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4702 |
| logD: | -0.4702 |
| logSw: | -0.4585 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.005 |
| InChI Key: | URLTYZSUPMLXCA-NKWVEPMBSA-N |