Molecule ID: mol35142
SMILES: CCC(CC)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C12H20O8/c1-3-5(4-2)11(18)20-12-8(15)6(13)7(14)9(19-12)10(16)17/h5-9,12-15H,3-4H2,1-2H3,(H,16,17)/t6-,7-,8+,9-,12-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.37 | QSARToolbox | 0 » -1 |