Cell Reactant:
BDBM36126
Syringe Reactant:
BDBM36254
Meas. Tech.:
ITC
Entry Date.:
12/21/10
ΔG°:
-24.55±n/a (kJ/mole)
Log10Kb:
0.2
Temperature:
298±0 (K)
ΔH° :
-28±0.8 (kJ/mole)
ΔS° :
-0.0117±n/a (kJ/mole-K)
Comments:
First trial
Citation
 Danil de Namor, AFTraboulssi, RLewis, DF Host properties of cyclodextrins towards anion constituents of antigenic determinants. A thermodynamic study in water and in N,N-dimethylformamide J Am Chem Soc 112:8442-7 (1990)    Article
Cell React
Name:
BDBM36126
Synonyms:
gamma-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C48H80O40
Mol. Mass.:
1297.1248
SMILES:
OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Structure:
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Syringe React
Name:
BDBM36254
Synonyms:
2-chloro-4-[(4-hydroxyphenyl)azo]benzoate
Type:
Guest
Emp. Form.:
C13H8ClN2O3
Mol. Mass.:
275.668
SMILES:
Oc1ccc(cc1)N=Nc1ccc(C([O-])=O)c(Cl)c1 |w:7.7|
Structure:
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