HuagongsheHuagongshe Chemistry Print Report · For research reference only
S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene
S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene
Identifiers & Physical Properties
| CAS No. | 142697-76-5 |
|---|---|
| Molecular formula | C16H26N6O12S3 |
| Average molar mass | 590.6 g/mol |
| Monoisotopic mass | 590.07708381 g/mol |
| SMILES | C[S+](C1C=CC(N)C1)C(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=S(=O)(O)O.O=S(=O)([O-])O |
| InChIKey | JGAGVHMDIMQTNK-UHFFFAOYSA-M |
| PubChem CID | 3083364 |
Chemical & Physical Properties
| Topological polar surface area | 335 |
|---|---|
| Hydrogen bond donors | 8 |
| Hydrogen bond acceptors | 17 |
| Rotatable bonds | 4 |
| Heavy atoms | 37 |
| Formal charge | 0 |
| Complexity | 730 |