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Reaction Details
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Cell Reactant:BDBM11
Syringe Reactant:BDBM18073
Meas. Tech.:ITC
Entry Date:10/30/10
 
ΔG°:-0.720±0.720 (kcal/mole)
pH:5.01±0
Log10Kb:0.477± 0.845
Temperature:298.15±0 (K)
ΔH° :-2.87±5.26 (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° :-0.0100±0.0200 (kcal/mole-K)
Comments:First trial
 
Citation Rekharsky, MV; Schwarz, FP; Tewari, YB; Goldberg, RN A Thermodynamic Study of the Reactions of Cyclodextrins with Primary and Secondary Aliphatic Alcohols, with D- and L-Phenylalanine, and with L-Phenylalanine Amide J Phys Chem98:10282-10288 (1994)    Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM11
Source:7585-39-9
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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BDBM18073
Source:63-91-2
Purity:n/a
Prep. Method:n/a
NameBDBM18073
Synonyms:(2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523 | L-[2,3,4,5,6-3H]phenylalanine | L-phenylalanine | Phenylalanine | US11021454, Compound L-phe
TypeAmino Acid
Emp. Form.C9H11NO2
Mol. Mass.165.1891
SMILESN[C@@H](Cc1ccccc1)C(O)=O
Structure
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Last update November 1, 2007
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