Molecule ID: mol69

SMILES: CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1CC

InChI: InChI=1S/C40H67NO13/c1-11-28-38(49-10)35(47)25(7)51-39(28)50-20-27-17-21(3)13-14-29(43)22(4)18-26(15-16-42)37(23(5)30(44)19-32(45)53-31(27)12-2)54-40-36(48)33(41(8)9)34(46)24(6)52-40/h13-14,16-17,22-28,30-31,33-40,44,46-48H,11-12,15,18-20H2,1-10H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.36 Settimo 1 » 0
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Charge States and Microspecies Visualization