Molecule ID: mol38143
SMILES: CC(=O)NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CNC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
InChI: InChI=1S/C26H47N5O15/c1-8(33)29-4-3-12(35)24(42)31-11-5-10(27)22(45-26-20(40)19(39)17(37)13(43-26)6-30-9(2)34)21(41)23(11)46-25-18(38)15(28)16(36)14(7-32)44-25/h10-23,25-26,32,35-41H,3-7,27-28H2,1-2H3,(H,29,33)(H,30,34)(H,31,42)/t10-,11+,12-,13+,14+,15-,16+,17+,18+,19-,20+,21-,22+,23-,25+,26+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.90 | QSARToolbox | 2 » 1 |