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Cell Reactant:BDBM36268
Syringe Reactant:BDBM36178
Meas. Tech.:ITC
Entry Date:01/03/11
 
ΔG°:-4.83±0 (kcal/mole)
pH:7.2±0
Log10Kb:3.54± 1.32
Temperature:298.15±0 (K)
ΔH° :-1.80±0 (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 Liu YYang ECYang YWZhang HYFan ZDing FCao R Thermodynamics of the molecular and chiral recognition of cycloalkanols and camphor by modified beta-cyclodextrins possessing simple aromatic tethers. J Org Chem 69:173-80 (2004) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM36268
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM36268
Synonyms:6-O-(4-formylphenyl)-beta-cyclodextrin
TypeMolecular Host
Emp. Form.C49H74O36
Mol. Mass.1239.0903
SMILESOC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](COc6ccc(C=O)cc6)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Structure
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BDBM36178
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM36178
Synonyms:cycloheptanol
TypeGuest
Emp. Form.C7H14O
Mol. Mass.114.1855
SMILESOC1CCCCCC1
Structure
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