Molecule ID: mol9590
SMILES: O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
InChI: InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.08 | IUPAC digitized pKa | 0 » -1 |
| 3.29 | QSARToolbox | 0 » -1 |
| 3.29 | IUPAC digitized pKa | 0 » -1 |
| 3.63 | IUPAC digitized pKa | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.41 | IUPAC digitized pKa | 0 » -1 |