Molecule ID: mol9827
SMILES: O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
InChI: InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.94 | QSARToolbox | 0 » -1 |
| 0.94 | AttenGpKa training set | 0 » -1 |
| 1.49 | IUPAC digitized pKa | 0 » -1 |
| 1.50 | IUPAC digitized pKa | 0 » -1 |
| 1.54 | IUPAC digitized pKa | 0 » -1 |
| 1.60 | IUPAC digitized pKa | 0 » -1 |
| 1.61 | IUPAC digitized pKa | 0 » -1 |
| 1.65 | IUPAC digitized pKa | 0 » -1 |
| 1.67 | IUPAC digitized pKa | 0 » -1 |
| 6.11 | IUPAC digitized pKa | -1 » -2 |
| 6.11 | AttenGpKa training set | -1 » -2 |
| 6.11 | QSARToolbox | -1 » -2 |
| 6.20 | IUPAC digitized pKa | -1 » -2 |
| 6.22 | IUPAC digitized pKa | -1 » -2 |
| 6.22 | IUPAC digitized pKa | -1 » -2 |
| 6.24 | IUPAC digitized pKa | -1 » -2 |
| 6.28 | IUPAC digitized pKa | -1 » -2 |
| 6.31 | IUPAC digitized pKa | -1 » -2 |
| 11.71 | IUPAC digitized pKa | -2 » -3 |