Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36065
Meas. Tech.:
ITC
Entry Date.:
10/10/10
ΔG°:
-19.35±0.03 (kJ/mole)
pH:
4.8±0
Log10Kb:
1.5
Temperature:
298.15±0 (K)
ΔH° :
-27±0.2 (kJ/mole)
ΔS° :
-0.0258±0.0007 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, M; Inoue, Y Chiral Recognition Thermodynamics of β-Cyclodextrin: The Thermodynamic Origin of Enantioselectivity and the Enthalpy-Entropy Compensation Effect J Am Chem Soc 122:4418-35 (2000)  
Cell React
Source:
7585-39-9 (Sigma)
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:
BDBM36065
Synonyms:
(R)-camphorquinone-3-oxime
Type:
Guest
Emp. Form.:
C10H15NO2
Mol. Mass.:
181.2316
SMILES:
CC1(C)C2CC[C@@]1(C)C(=O)C2N=O |TLB:11:10:1:4.5,THB:9:8:1:4.5|
Structure:
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