Molecule ID: mol38144
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](NC(C)=O)[C@H]1O
InChI: InChI=1S/C28H49N5O16/c1-9(35)30-5-4-14(38)26(45)33-13-6-12(29)24(48-28-22(43)21(42)19(40)15(46-28)7-31-10(2)36)23(44)25(13)49-27-20(41)17(32-11(3)37)18(39)16(8-34)47-27/h12-25,27-28,34,38-44H,4-8,29H2,1-3H3,(H,30,35)(H,31,36)(H,32,37)(H,33,45)/t12-,13+,14-,15+,16+,17-,18+,19+,20+,21-,22+,23-,24+,25-,27+,28+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | QSARToolbox | 1 » 0 |