HuagongsheHuagongshe Chemistry Print Report · For research reference only
Agn-PC-0lofal
Identifiers & Physical Properties
| CAS No. | 5199-53-1 |
|---|---|
| Molecular formula | C51H70N2O7 |
| Average molar mass | 823.1 g/mol |
| Monoisotopic mass | 822.51830258 g/mol |
| SMILES | C=CCOC12Oc3ccc(O)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC)CC1N(Cc1cccc4ccccc14)C(=O)CCCCCCCCCCC)C32 |
| InChIKey | CWWTXXXFKFMBER-UHFFFAOYSA-N |
| PubChem CID | 5204792 |
| DTXSID | DTXSID10409782 |
Chemical & Physical Properties
| XLogP | 11.2 |
|---|---|
| Topological polar surface area | 121 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 25 |
| Heavy atoms | 60 |
| Formal charge | 0 |
| Complexity | 1,370 |