HuagongsheHuagongshe Chemistry Print Report · For research reference only
RS 59022-198
RS 59022-198 · 1,6-Bis(3,4-dihydroxy-2-benzylpyrrolidine)hexane
Identifiers & Physical Properties
| CAS No. | 141839-02-3 |
|---|---|
| Molecular formula | C28H42Cl2N2O4 |
| Average molar mass | 541.5 g/mol |
| Monoisotopic mass | 540.2521632 g/mol |
| SMILES | Cl.Cl.OC1CN(CCCCCCN2CC(O)C(O)C2Cc2ccccc2)C(Cc2ccccc2)C1O |
| InChIKey | NRKAFSROTVSRAX-UHFFFAOYSA-N |
| PubChem CID | 3083344 |
| DTXSID | DTXSID30931212 |
Chemical & Physical Properties
| Topological polar surface area | 87.4 |
|---|---|
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 11 |
| Heavy atoms | 36 |
| Formal charge | 0 |
| Complexity | 531 |