Molecule ID: mol19152
SMILES: CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CNC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
InChI: InChI=1S/C39H66N2O6/c1-9-44-33(35(5,6)43)25-18-23(2)30-31(46-25)32(42)37(8)27-11-10-26-34(3,4)28(47-29-21-41(16-17-45-29)24-19-40-20-24)12-13-38(26)22-39(27,38)15-14-36(30,37)7/h23-33,40,42-43H,9-22H2,1-8H3/t23-,25-,26+,27+,28+,29+,30+,31+,32+,33+,36-,37-,38-,39+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.70 | Baltruschat ChEMBL | 1 » 0 |