Molecule ID: mol38150
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]2NC(C)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C28H49N5O16/c1-9(35)30-7-15-19(40)21(42)22(43)28(46-15)49-24-12(31-10(2)36)6-13(33-26(45)14(38)4-5-29)25(23(24)44)48-27-20(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 |
|---|---|---|
| 10.00 | QSARToolbox | 1 » 0 |