Molecule ID: mol21272

SMILES: CN(C)CCCO/N=C1/C[C@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]32[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]12C

InChI: InChI=1S/C31H42N2O8/c1-27(2)20-14-21(32-38-12-7-11-33(5)6)29(4)19(30(20)17-37-23(34)15-22(30)40-27)8-10-28(3)24(18-9-13-36-16-18)39-26(35)25-31(28,29)41-25/h9,13,16,19-20,22,24-25H,7-8,10-12,14-15,17H2,1-6H3/b32-21-/t19-,20-,22-,24-,25+,28-,29-,30+,31+/m0/s1

Experimental Macro pKa Values

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