Molecule ID: mol19151

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(C6(C)COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O

InChI: InChI=1S/C40H67NO7/c1-10-45-33(35(5,6)43)25-19-24(2)30-31(47-25)32(42)38(9)27-12-11-26-34(3,4)28(13-14-39(26)21-40(27,39)16-15-37(30,38)8)48-29-20-41(17-18-46-29)36(7)22-44-23-36/h24-33,42-43H,10-23H2,1-9H3/t24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,37-,38-,39-,40+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.20 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization