ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate
Chemical Structure Depiction of
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate
Compound characteristics
| Compound ID: | 8020-7352 |
| Compound Name: | ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate |
| Molecular Weight: | 392.36 |
| Molecular Formula: | C19 H20 O9 |
| Smiles: | CCOC(CC(C1=C(C(C=C(CO)O1)=O)O)c1cc(c2c(c1)OCO2)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4032 |
| logD: | 1.3126 |
| logSw: | -1.6126 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.154 |
| InChI Key: | OEMRCFBSZRAROU-LBPRGKRZSA-N |