Molecule ID: mol38152
SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](NC(C)=O)C[C@H]2NC(=O)[C@@H](O)CCN)O[C@H](CO)[C@H]1O
InChI: InChI=1S/C26H47N5O15/c1-8(33)29-10-5-11(31-24(42)12(35)3-4-27)23(45-25-18(38)15(30-9(2)34)16(36)14(7-32)44-25)21(41)22(10)46-26-20(40)19(39)17(37)13(6-28)43-26/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 |
|---|---|---|
| 8.70 | QSARToolbox | 2 » 1 |