Molecule ID: mol12093
SMILES: O=C(O)CN(CCCCCCCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C16H28N2O8/c19-13(20)9-17(10-14(21)22)7-5-3-1-2-4-6-8-18(11-15(23)24)12-16(25)26/h1-12H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 2 » 1 |
| 2.00 | IUPAC digitized pKa | 2 » 1 |
| 2.00 | QSARToolbox | 2 » 1 |
| 2.75 | IUPAC digitized pKa | -1 » -2 |
| 2.75 | IUPAC digitized pKa | -1 » -2 |
| 9.91 | IUPAC digitized pKa | -2 » -3 |
| 9.94 | IUPAC digitized pKa | -2 » -3 |
| 10.75 | IUPAC digitized pKa | -3 » -4 |
| 10.77 | IUPAC digitized pKa | -3 » -4 |