Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36255
Meas. Tech.:
ITC
Entry Date.:
12/21/10
ΔG°:
-20.04±n/a (kJ/mole)
Log10Kb:
0.1
Temperature:
298±0 (K)
ΔH° :
-20.1±0.6 (kJ/mole)
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:
BDBM11
Synonyms:
beta-cyclodextrin | betadex
Type:
Molecular Host
Emp. Form.:
C42H70O35
Mol. Mass.:
1134.9842
SMILES:
[H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O
Structure:
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Syringe React
Name:
BDBM36255
Synonyms:
4-chloro-3-[(4-hydroxyphenyl)azo]benzoate
Type:
Guest
Emp. Form.:
C13H8ClN2O3
Mol. Mass.:
275.668
SMILES:
Oc1ccc(cc1)N=Nc1cc(ccc1Cl)C([O-])=O |w:7.7|
Structure:
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