Molecule ID: mol11748
SMILES: O=C(O)CN(CCCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C12H20N2O8/c15-9(16)5-13(6-10(17)18)3-1-2-4-14(7-11(19)20)8-12(21)22/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | IUPAC digitized pKa | 2 » 1 |
| 1.90 | IUPAC digitized pKa | 2 » 1 |
| 2.40 | IUPAC digitized pKa | 0 » -1 |
| 2.40 | IUPAC digitized pKa | 0 » -1 |
| 2.45 | IUPAC digitized pKa | 0 » -1 |
| 2.66 | IUPAC digitized pKa | 0 » -1 |
| 8.96 | IUPAC digitized pKa | -3 » -4 |
| 9.05 | IUPAC digitized pKa | -3 » -4 |
| 9.07 | IUPAC digitized pKa | -3 » -4 |
| 10.35 | IUPAC digitized pKa | -3 » -4 |
| 10.45 | IUPAC digitized pKa | -3 » -4 |
| 10.66 | IUPAC digitized pKa | -3 » -4 |