Base information
| Cat. No. | |
| CAS No. | 160112-18-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H20NNaO8S |
| Molecular Weight | 445.419 |
| Exact Mass | 445.081 |
| XLogP3 | 3.7704 |
| Mr | 102.711 |
| PSA | 147.61 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 51 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | O=C(N[C@@H]([C@H](OS(=O)(=O)O)C)C(=O)O)OCC1c2ccccc2-c2c1cccc2.[NaH] |
