Base information
| Cat. No. | |
| CAS No. | 180088-52-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H19NO10S |
| Molecular Weight | 417.388 |
| Exact Mass | 417.073 |
| XLogP3 | 0.1519 |
| Mr | 93.7709 |
| PSA | 184.14 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 49 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@@H]1O)O)NS(=O)(=O)O |
