Interaction Scheme
Molecule
Na+
Host
2-Hydroxy-3-(1,4,7,10-tetraoxa-13-azacyclopenta...
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 758.58 | ± 87.53 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -16.44 | ± 0.29 | -3.93 | ± 0.07 |
| ΔH | = | -20.1 | ± 0.7 | -4.8 | ± 0.17 |
| -TΔS | = | 3.66 | 0.87 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -12.3 | -2.9 | ||
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 2024, 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 Na+ (0.026365050489071683 M) and 2-Hydroxy-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylmethyl)-5-bromobenzaldehyde oxime (0 — 0.05273010097814337 M).
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