Interaction Scheme
Molecule
K+
Host
13-(2-Hydroxy-3-formyl-5-bromobenzyl)-1,4,7,10-...
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 512.86 | ± 59.18 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -15.47 | ± 0.29 | -3.7 | ± 0.07 |
| ΔH | = | -16.7 | ± 0.7 | -3.99 | ± 0.17 |
| -TΔS | = | 1.23 | 0.29 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -4.1 | -1.0 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | syringe | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | methanol |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. V. Bordunov, J. S. Bradshaw, V. N. Pastushok, X. X. Zhang, X. Kou, N. Kent Dalley, Z. Yang, P. B. Savage, R. M. Izatt, SupraBank 2025, Azacrown ethers containing oximic and Schiff base sidearms - potential heteronuclear metal ion receptors (dataset). https://doi.org/10.34804/supra.20210928115 |
| Link: | https://doi.org/10.34804/supra.20210928115 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
A. V. Bordunov, J. S. Bradshaw, V. N. Pastushok, X. X. Zhang, X. Kou, N. Kent Dalley, Z. Yang, P. B. Savage, R. M. Izatt, Tetrahedron 1997, 53, 17595–17606. |
| Link: | https://doi.org/10.1016/S0040-4020(97)10229-0 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of K+ (0.03899699723121319 M) and 13-(2-Hydroxy-3-formyl-5-bromobenzyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane (0 — 0.07799399446242639 M).
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