Molecule ID: mol19145
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(C)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
InChI: InChI=1S/C37H63NO6/c1-10-41-31(33(5,6)40)23-19-22(2)28-29(43-23)30(39)35(8)25-12-11-24-32(3,4)26(44-27-20-38(9)17-18-42-27)13-14-36(24)21-37(25,36)16-15-34(28,35)7/h22-31,39-40H,10-21H2,1-9H3/t22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,34-,35-,36-,37+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | Baltruschat ChEMBL | 1 » 0 |