ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(pyridin-4-yl)propanoate
Chemical Structure Depiction of
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(pyridin-4-yl)propanoate
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(pyridin-4-yl)propanoate
Compound characteristics
| Compound ID: | 8020-5992 |
| Compound Name: | ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(pyridin-4-yl)propanoate |
| Molecular Weight: | 319.31 |
| Molecular Formula: | C16 H17 N O6 |
| Smiles: | CCOC(CC(C1=C(C(C=C(CO)O1)=O)O)c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3304 |
| logD: | 0.238 |
| logSw: | -1.0159 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.152 |
| InChI Key: | JNMBENFTGXXDBS-LBPRGKRZSA-N |