Molecule ID: mol37587
SMILES: O=C(O)[C@H]1CS[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O)N1
InChI: InChI=1S/C9H15NO8S/c11-3(4(12)6(14)9(17)18)5(13)7-10-2(1-19-7)8(15)16/h2-7,10-14H,1H2,(H,15,16)(H,17,18)/t2-,3-,4+,5+,6-,7+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.67 | QSARToolbox | -1 » -2 |