Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36070
Meas. Tech.:
ITC
Entry Date.:
10/10/10
ΔG°:
-12.37±0.07 (kJ/mole)
pH:
6.9±0
Log10Kb:
0.6
Temperature:
298.15±0 (K)
ΔH° :
-10±0.2 (kJ/mole)
ΔS° :
0.0081±0.0007 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, MInoue, 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
Source:
1142-20-7(Sigma)
Name:
BDBM36070
Synonyms:
N-Cbz-L-alanine | N-Cbz-L-serine
Type:
Guest
Emp. Form.:
C11H12NO4
Mol. Mass.:
222.2178
SMILES:
C[C@H](NC(=O)OCc1ccccc1)C([O-])=O
Structure:
Search PDB for entries with ligand similarity: