Interaction Scheme
Molecule
Na+
Host
o-(Me)2-2.2.2
c = 5000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 30.0 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -8.43 | -2.01 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
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: |
O. Shyshov, R. Brachvogel, T. Bachmann, R. Srikantharajah, D. Segets, F. Hampel, R. Puchta, M. von Delius, SupraBank 2024, Adaptive Behavior of Dynamic Orthoester Cryptands (dataset). https://doi.org/10.34804/supra.2021092875 |
| Link: | https://doi.org/10.34804/supra.2021092875 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
O. Shyshov, R. C. Brachvogel, T. Bachmann, R. Srikantharajah, D. Segets, F. Hampel, R. Puchta, M. von Delius, Angew. Chem. Int. Ed. 2016, 56, 776–781. |
| Link: | https://doi.org/10.1002/anie.201609855 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Na+ (0.6666666666666666 M) and o-(Me)2-2.2.2 (0 — 1.3333333333333333 M).
Please sign in: customize the simulation by signing in to the SupraBank.
