Molecule ID: mol38148
SMILES: CC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(=O)[C@@H](O)CCN)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C26H47N5O15/c1-8(33)29-6-13-17(37)19(39)20(40)26(43-13)45-22-10(28)5-11(31-24(42)12(35)3-4-27)23(21(22)41)46-25-18(38)15(30-9(2)34)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 |
|---|---|---|
| 7.00 | QSARToolbox | 2 » 1 |