Molecule ID: mol38321
SMILES: O=C(O)[C@@H]1OCCNCCO[C@@H](C(=O)O)[C@H](C(=O)O)OCCNCCO[C@H]1C(=O)O
InChI: InChI=1S/C16H26N2O12/c19-13(20)9-10(14(21)22)29-7-3-18-4-8-30-12(16(25)26)11(15(23)24)28-6-2-17-1-5-27-9/h9-12,17-18H,1-8H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)/t9-,10-,11-,12-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.63 | QSARToolbox | -2 » -3 |