Molecule ID: mol9571
SMILES: O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.63 | IUPAC digitized pKa | 0 » -1 |
| 2.87 | IUPAC digitized pKa | 0 » -1 |
| 2.96 | IUPAC digitized pKa | 0 » -1 |
| 3.04 | QSARToolbox | 0 » -1 |
| 3.04 | QSARToolbox | 0 » -1 |
| 3.04 | QSARToolbox | 0 » -1 |
| 3.04 | QSARToolbox | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |
| 3.06 | QSARToolbox | 0 » -1 |
| 3.06 | QSARToolbox | 0 » -1 |
| 3.07 | QSARToolbox | 0 » -1 |
| 3.07 | QSARToolbox | 0 » -1 |
| 3.07 | QSARToolbox | 0 » -1 |
| 3.07 | QSARToolbox | 0 » -1 |
| 3.08 | QSARToolbox | 0 » -1 |
| 3.08 | QSARToolbox | 0 » -1 |
| 3.08 | QSARToolbox | 0 » -1 |
| 3.08 | QSARToolbox | 0 » -1 |
| 3.08 | QSARToolbox | 0 » -1 |
| 3.09 | QSARToolbox | 0 » -1 |
| 3.09 | QSARToolbox | 0 » -1 |
| 3.09 | QSARToolbox | 0 » -1 |
| 3.11 | AttenGpKa training set | 0 » -1 |
| 3.13 | OCHEM | 0 » -1 |
| 3.13 | OCHEM | 0 » -1 |
| 3.13 | QSARToolbox | 0 » -1 |
| 3.13 | QSARToolbox | 0 » -1 |
| 3.13 | QSARToolbox | 0 » -1 |
| 3.44 | IUPAC digitized pKa | -1 » -2 |
| 4.11 | IUPAC digitized pKa | -2 » -3 |
| 4.35 | IUPAC digitized pKa | -2 » -3 |
| 4.38 | IUPAC digitized pKa | -2 » -3 |
| 4.39 | QSARToolbox | -2 » -3 |
| 4.39 | QSARToolbox | -2 » -3 |
| 4.58 | AttenGpKa training set | -2 » -3 |
| 4.59 | QSARToolbox | -2 » -3 |
| 4.59 | QSARToolbox | -2 » -3 |
| 4.60 | QSARToolbox | -2 » -3 |
| 4.60 | QSARToolbox | -2 » -3 |
| 4.74 | QSARToolbox | -2 » -3 |
| 4.74 | QSARToolbox | -2 » -3 |
| 4.75 | QSARToolbox | -2 » -3 |
| 4.75 | QSARToolbox | -2 » -3 |
| 4.75 | QSARToolbox | -2 » -3 |
| 4.75 | QSARToolbox | -2 » -3 |
| 4.75 | QSARToolbox | -2 » -3 |
| 4.75 | QSARToolbox | -2 » -3 |
| 4.76 | QSARToolbox | -2 » -3 |
| 4.76 | QSARToolbox | -2 » -3 |
| 4.76 | QSARToolbox | -2 » -3 |
| 4.77 | QSARToolbox | -2 » -3 |
| 4.77 | QSARToolbox | -2 » -3 |
| 5.02 | IUPAC digitized pKa | -2 » -3 |
| 5.34 | IUPAC digitized pKa | -2 » -3 |
| 5.49 | QSARToolbox | -2 » -3 |
| 5.49 | QSARToolbox | -2 » -3 |
| 5.68 | IUPAC digitized pKa | -2 » -3 |
| 5.68 | IUPAC digitized pKa | -2 » -3 |
| 5.82 | QSARToolbox | -2 » -3 |
| 5.82 | QSARToolbox | -2 » -3 |
| 5.87 | QSARToolbox | -2 » -3 |
| 5.87 | QSARToolbox | -2 » -3 |
| 6.25 | AttenGpKa training set | -2 » -3 |
| 6.26 | QSARToolbox | -2 » -3 |
| 6.26 | QSARToolbox | -2 » -3 |
| 6.40 | QSARToolbox | -2 » -3 |
| 6.40 | QSARToolbox | -2 » -3 |
| 6.40 | QSARToolbox | -2 » -3 |
| 6.40 | QSARToolbox | -2 » -3 |
| 6.40 | QSARToolbox | -2 » -3 |
| 6.41 | QSARToolbox | -2 » -3 |
| 6.41 | QSARToolbox | -2 » -3 |
| 6.41 | QSARToolbox | -2 » -3 |
| 6.41 | QSARToolbox | -2 » -3 |
| 6.42 | QSARToolbox | -2 » -3 |
| 6.42 | QSARToolbox | -2 » -3 |
| 6.55 | IUPAC digitized pKa | -2 » -3 |