Molecule ID: mol1940
SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CS
InChI: InChI=1S/C6H14O5S/c7-1-3(8)5(10)6(11)4(9)2-12/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 9.35 | IUPAC digitized pKa | 0 » -1 |
| 9.35 | OCHEM | 0 » -1 |
| 9.35 | Hunt | 0 » -1 |
| 9.50 | IUPAC digitized pKa | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |
| 9.50 | AttenGpKa training set | 0 » -1 |