Base information
| Cat. No. | |
| CAS No. | 61145-33-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H21NO9S |
| Molecular Weight | 403.404 |
| Exact Mass | 403.094 |
| XLogP3 | 0.32628 |
| Mr | 90.477 |
| PSA | 163.52 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 48 |
| Ring number | 1 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | N#CCS[C@@H]1O[C@H](COC(=O)C)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C |
