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Cell Reactant:BDBM4
Syringe Reactant:BDBM36009
Meas. Tech.:ITC
Entry Date:10/07/10
 
ΔG°:-1.59±0.110 (kcal/mole)
pH:6.9±0
Log10Kb:1.17± 0.0792
Temperature:298±0 (K)
ΔH° :-3.54±0.530 (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 (kcal/mole-K)
Comments:First trial
 
Citation Rekharsky BDGoldberg RNSchwarz FPTewari YBRoss PDYamashoji YInoue Y Thermodynamic and Nuclear Magnetic Resonance Study of the Interactions of alpha-and beta-Cyclodextrin with Model Substances: Phenethylamine, Ephedrines, and Related Substances J Am Chem Soc 117:8830-40 (1995)  
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM4
Source:10016-20-3 (Sigma)
Purity:n/a
Prep. Method:n/a
NameBDBM4
Synonyms:(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol | alpha-cyclodextrin
TypeMolecular Host
Emp. Form.C36H60O30
Mol. Mass.972.8436
SMILES[H]C12OC(CO)C([H])(OC3([H])OC(CO)C([H])(OC4([H])OC(CO)C([H])(OC5([H])OC(CO)C([H])(OC6([H])OC(CO)C([H])(OC7([H])OC(CO)C([H])(O1)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O
Structure
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BDBM36009
Source:56552-80-8 (Sigma)
Purity:n/a
Prep. Method:n/a
NameBDBM36009
Synonyms:L-alpha-o-benzylglycerol
TypeGuest
Emp. Form.C10H14O3
Mol. Mass.182.2164
SMILESOC[C@@H](O)COCc1ccccc1
Structure
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