HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,1'-Dithiobis(2-amino-3-(4-(carboxymethyl)cyclohexyl)propane) bis(trifluoroacetate)
1,1'-dithiobis(2-amino-3-(4-(carboxymethyl)cyclohexyl)propane) bis(trifluoroacetate)
Identifiers & Physical Properties
| CAS No. | 156143-99-6 |
|---|---|
| Molecular formula | C26H42F6N2O8S2 |
| Average molar mass | 688.7 g/mol |
| Monoisotopic mass | 688.22867762 g/mol |
| SMILES | NC(CSSCC(N)CC1CCC(CC(=O)O)CC1)CC1CCC(CC(=O)O)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F |
| InChIKey | YWVTXDBSRJRRQV-UHFFFAOYSA-N |
| PubChem CID | 190827 |
| DTXSID | DTXSID90935377 |
Chemical & Physical Properties
| Topological polar surface area | 252 |
|---|---|
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 18 |
| Rotatable bonds | 13 |
| Heavy atoms | 44 |
| Formal charge | 0 |
| Complexity | 559 |