Interaction Scheme

Molecule

Untitled
Dihydrogenphosphate

Host

S8
1,1',1''-((2,4,6-triethylbenzene-1,3,5-triyl)tr...

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4.30⋅105 M-1
Kd =
logKa = 5.63
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -32.16 -7.69
Comment
Counter ion is tetra-n-butylammonium cation.
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
Detailed information about the solvation.
Solvent System Single Solvent
Solvent dimethyl sulfoxide
Please find here information about the dataset this interaction is part of.
Citation:

T. Minami, P. Anzenbacher, Y. Liu, R. Nishiyabu, Z. Wang, SupraBank 2024, Sensing of Carboxylate Drugs in Urine by a Supramolecular Sensor Array (dataset). https://doi.org/10.34804/supra.20221104464

Link: https://doi.org/10.34804/supra.20221104464
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

Y. Liu, T. Minami, R. Nishiyabu, Z. Wang, P. Anzenbacher Jr., J. Am. Chem. Soc. 2013, 135, 7705–7712.

Link: https://doi.org/10.1021/ja4015748
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Dihydrogenphosphate (4.651162790697674e-05 M) and 1,1',1''-((2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene))tris(3-(4-(dimethylamino)naphthalen-1-yl)thiourea) (0 — 9.302325581395348e-05 M).