Molecule ID: mol11627
SMILES: O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 2 » 1 |
| 2.30 | IUPAC digitized pKa | -1 » -2 |
| 2.55 | IUPAC digitized pKa | 0 » -1 |
| 2.67 | IUPAC digitized pKa | 0 » -1 |
| 7.80 | IUPAC digitized pKa | -2 » -3 |
| 7.90 | IUPAC digitized pKa | -2 » -3 |
| 8.02 | IUPAC digitized pKa | -2 » -3 |
| 10.23 | IUPAC digitized pKa | -3 » -4 |
| 10.27 | IUPAC digitized pKa | -3 » -4 |
| 10.46 | IUPAC digitized pKa | -3 » -4 |