Molecule ID: mol37817
SMILES: CC(C)C[C@H]1O[C@@H]2[C@@H]3CC[C@@H]([C@@H]2O1)[C@H](C(=O)O)[C@@H]3C(=O)O
InChI: InChI=1S/C15H22O6/c1-6(2)5-9-20-12-7-3-4-8(13(12)21-9)11(15(18)19)10(7)14(16)17/h6-13H,3-5H2,1-2H3,(H,16,17)(H,18,19)/t7-,8-,9-,10+,11-,12+,13-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | QSARToolbox | -1 » -2 |