Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36252
Syringe Reactant:
BDBM36251
Meas. Tech.:
ITC
Entry Date.:
12/08/10
ΔG°:
-22.18±0.01 (kJ/mole)
pH:
7.2±0
Log10Kb:
1.1
Temperature:
298.15±0 (K)
ΔH° :
-17.14±0.07 (kJ/mole)
ΔS° :
0.0169±0.0002 (kJ/mole-K)
Comments:
First trial
Citation
 Liu, Y; Cao, R; Chen, Y; He, JY Effect of beta-cyclodextrin charge type on the molecular recognition thermodynamics of reactions with (ferrocenylmethyl)dimethylaminium derivatives. J Phys Chem B 112:1445-50 (2008) [PubMed]  Article
Cell React
Name:
BDBM36252
Synonyms:
mono[6-O-6-(4-carboxylphenyl)]-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C49H74O37
Mol. Mass.:
1255.0897
SMILES:
OC[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](CO)O[C@H](O[C@@H]6[C@@H](COc7ccc(cc7)C(O)=O)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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Syringe React
Name:
BDBM36251
Synonyms:
FC4+Br-
Type:
Guest
Emp. Form.:
C12H21N
Mol. Mass.:
179.3018
SMILES:
CCCC[N+](C)(C)Cc1ccc[cH-]1
Structure:
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