Base information
| Cat. No. | |
| CAS No. | 206443-06-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H17NaO11S |
| Molecular Weight | 440.354 |
| Exact Mass | 440.039 |
| XLogP3 | -0.1546 |
| Mr | 90.2028 |
| PSA | 184.17 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 47 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC1[C@@H](OC([C@@H](C1O)O)COS(=O)(=O)[O-])Oc1ccc2c(c1)oc(=O)cc2C.[Na+] |
