Molecule ID: mol19150
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(CCN6CCC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
InChI: InChI=1S/C41H70N2O6/c1-9-46-35(37(5,6)45)27-23-26(2)32-33(48-27)34(44)39(8)29-12-11-28-36(3,4)30(13-14-40(28)25-41(29,40)16-15-38(32,39)7)49-31-24-43(21-22-47-31)20-19-42-17-10-18-42/h26-35,44-45H,9-25H2,1-8H3/t26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,38-,39-,40-,41+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | Baltruschat ChEMBL | 1 » 0 |