Base information
| Cat. No. | |
| CAS No. | 126938-14-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H18O11S |
| Molecular Weight | 418.373 |
| Exact Mass | 418.057 |
| XLogP3 | 0.188 |
| Mr | 92.0542 |
| PSA | 181.34 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 48 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)COS(=O)(=O)O)Oc1ccc2c(c1)oc(=O)cc2C |
