Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36036
Meas. Tech.:
ITC
Entry Date.:
2010-10-10
ΔG°:
-1.68±0.02 (kcal/mole)
pH:
6.9000±0.0000
Log10Kb:
-0.3
Temperature:
298.1500±0.0000 (K)
ΔH° :
-5.69±0.1 (kJ/mole)
ΔS° :
-0.01±0 (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:
betadex | beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C42H70O35
Mol. Mass.:
1134.37
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]1[C@H](O)[C@H]2O)[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
Source:
1218-34-4 (Sigma)
Name:
BDBM36036
Synonyms:
N-acetyl-L-tryptophan
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O
Structure:
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