Base information
| Cat. No. | |
| CAS No. | 179030-22-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H13NO4S |
| Molecular Weight | 219.258 |
| Exact Mass | 219.057 |
| XLogP3 | -1.6052 |
| Mr | 55.5144 |
| PSA | 107.58 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@H]([C@@H]1O)O)C |
