Base information
| Cat. No. | |
| CAS No. | 3664-95-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H27NaO8S |
| Molecular Weight | 462.489 |
| Exact Mass | 462.132 |
| XLogP3 | 2.1229 |
| Mr | 105.668 |
| PSA | 149.41 |
| Sequence | - |
| Atom number | 58 |
| Bond number | 60 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=C1C=C[C@]2(C(=C1)CCC1C2[C@@H](O)C[C@]2(C1CC[C@]2(O)C(=O)COS(=O)(=O)[O-])C)C.[Na+] |
