Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36077
Meas. Tech.:
ITC
Entry Date.:
10/10/10
ΔG°:
-5.22±0.05 (kcal/mole)
pH:
4.8±0
Log10Kb:
2.7
Temperature:
298.15±0 (K)
ΔH° :
-6.87±0.1 (kJ/mole)
ΔS° :
-0.01±0 (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:
Search PDB for entries with ligand similarity:
Syringe React
Source:
31886-57-4(Fluka)
Name:
BDBM36077
Synonyms:
(R)-N,N-dimethyl-1-ferrocenylethylamine | (S)-N,N-dimethyl-1-ferrocenylethylamine
Type:
Guest
Emp. Form.:
C9H15N
Mol. Mass.:
137.2216
SMILES:
CC([NH+](C)C)C1=CC=C[CH]1 |c:7,t:5,^1:9|
Structure:
Search PDB for entries with ligand similarity: