Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM50129063
Meas. Tech.:
ITC
Entry Date.:
10/10/10
ΔG°:
-5.4±0.6 (kJ/mole)
pH:
6.9±0
Log10Kb:
0.3
Temperature:
298.15±0 (K)
ΔH° :
-4.6±0.3 (kJ/mole)
ΔS° :
0.0027±0.0023 (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
Source:
17199-29-0
Name:
BDBM50129063
Synonyms:
(2S)-hydroxy(phenyl)acetate | (S)-mandelate | (S)-mandelic acid
Type:
Small organic molecule
Emp. Form.:
C8H7O3
Mol. Mass.:
151.1399
SMILES:
O[C@H](C([O-])=O)c1ccccc1
Structure:
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