Molecule ID: mol37416
SMILES: O=CN[C@@H](CCCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O
InChI: InChI=1S/C13H24N2O8/c16-7-15-8(12(20)21)3-1-2-4-14-6-13(22)11(19)10(18)9(17)5-23-13/h7-11,14,17-19,22H,1-6H2,(H,15,16)(H,20,21)/t8-,9+,10+,11-,13+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.02 | QSARToolbox | 0 » -1 |