Interaction Scheme

Molecule

Untitled
Sodium fluoborate

c = 0.0 — 5000000.0 µM

Host

O %28ch3%29 2

c = 5000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 950.0 M-1
Kd =
logKa = 2.98
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.0 -4.06
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Detailed information about the solvation.
Solvent System Single Solvent
Solvent Acetonitrile-d3
Please find here information about the dataset this interaction is part of.
Citation:

M. von Delius, R. Brachvogel, H. Maid, SupraBank 2024, NMR Studies on Li+, Na+ and K+ Complexes of Orthoester Cryptand o-Me2-1.1.1 (dataset). https://doi.org/10.34804/supra.20210928203

Link: https://doi.org/10.34804/supra.20210928203
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

R.-C. Brachvogel, H. Maid, M. von Delius, IJMS 2015, 16, 20641–20656.

Link: https://doi.org/10.3390/ijms160920641
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium fluoborate (0.021052631578947368 M) and o-(CH3)2-1.1.1 (0 — 0.042105263157894736 M).