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. 2022 Oct 15;87(21):14422–14432. doi: 10.1021/acs.joc.2c01875

Table 1. Equilibrium Constants Obtained for the β-CD Derivative Investigated in This Work.

equilibrium constant determination method calculated value
Kapp for 1-Ct:AD host–guest titration (see Figure 1) 1.2 × 103 M–1
Kapp for 1-Cc/1-B:AD host–guest titration (see Figure 4) 1.0 × 102 M–1
KintraCt eq 1 14
KintraCc eq 3 25
KintraB eq 2 2.8 × 102
KintraAH+ Ka vs [AD] data fitted with eq 4 3.0
KtIN stopped-flow (see the Supporting Information) 0.063
KtOUT stopped-flow (see the Supporting Information) 0.69
KhIN eq. 5 1.0 × 10–2 M
KhOUT Ka vs [AD] data fitted with eq 4 1.1 × 10–4 M