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Cell Reactant:BDBM11
Syringe Reactant:BDBM36052
Meas. Tech.:ITC
Entry Date:10/10/10
 
ΔG°:-3.77±0 (kcal/mole)
pH:6.9±0
Log10Kb:2.76± 0.602
Temperature:298.15±0 (K)
ΔH° :-3.06±0.0400 (kcal/mole)
ΔHobs:n/a
Ionic Strength:n/a
Corrected for ΔHioniz:n/a
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :0±0 (kcal/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)  
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM11
Source:7585-39-9 (Sigma)
Purity:n/a
Prep. Method:n/a
NameBDBM11
Synonyms:beta-cyclodextrin | betadex
TypeMolecular 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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BDBM36052
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM36052
Synonyms:N-t-Boc-L-alanine methyl ester
TypeGuest
Emp. Form.C9H17NO4
Mol. Mass.203.2356
SMILESCOC(=O)[C@H](C)NC(=O)OC(C)(C)C
Structure
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Last update November 1, 2007
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