HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isochlamydosporol
isochlamydosporol · 2H,5H-Pyrano[4,3-b]pyran-2-one, 7,8-dihydro-5-hydroxy-4-methoxy-7,8-dimethyl-, (5R,7S,8S)-
Identifiers & Physical Properties
| CAS No. | 157695-36-8 |
|---|---|
| Molecular formula | C11H14O5 |
| Average molar mass | 226.23 g/mol |
| Monoisotopic mass | 226.08412354 g/mol |
| SMILES | COc1cc(=O)oc2c1C(O)OC(C)C2C |
| InChIKey | ZYSOIVWPFGMXCV-UHFFFAOYSA-N |
| PubChem CID | 190887 |
| DTXSID | DTXSID70935779 |
Chemical & Physical Properties
| XLogP | -0.1 |
|---|---|
| Topological polar surface area | 65 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 1 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 382 |
| Boiling point | 454.157±45.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.297±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 11.420±0.70(predicted) |