Base information
| Cat. No. | |
| CAS No. | 142439-99-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H20NNaO11S |
| Molecular Weight | 481.406 |
| Exact Mass | 481.065 |
| XLogP3 | 0.3801 |
| Mr | 101.657 |
| PSA | 193.04 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 53 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COS(=O)(=O)[O-])Oc1ccc2c(c1)oc(=O)cc2C.[Na+] |
