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Reaction Details
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Cell Reactant:BDBM11
Syringe Reactant:BDBM36244
Meas. Tech.:ITC
Entry Date:12/08/10
 
Δ G ° :n/a
pH:7±0
Log10Kb:3.08± 2
Temperature:298.15±0 (K)
ΔH° :-13±0.5 (kJ/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° : 0.0144±0.00200 (kJ/mole-K)
Comments:First trial
 
Citation Kano, KNishiyabu, RDoi, R Novel behavior of O-methylated beta-cyclodextrins in inclusion of meso-tetraarylporphyrins. J Org Chem70:3667-73 (2005) [PubMed]  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
BDBM36244
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM36244
Synonyms:5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin
TypeGuest
Emp. Form.C50H30N4O12
Mol. Mass.878.7928
SMILESOC(=O)c1cc(cc(c1)-c1c2ccc(n2)c(-c2ccccc2)c2ccc(n2)c(-c2cc(cc(c2)C(O)=O)C(O)=O)c2ccc([nH]2)c(-c2cc(cc(c2)C(O)=O)C(O)=O)c2ccc1[nH]2)C(O)=O
Structure

   
    

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Last update November 1, 2007
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