Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36165
Meas. Tech.:
ITC
Entry Date.:
2010-11-05
ΔG°:
-4.93±0.01 (kcal/mole)
pH:
7.2000±0.0000
Log10Kb:
1.9
Temperature:
298.1500±0.0000 (K)
ΔH° :
-5.5±0.11 (kJ/mole)
ΔS° :
-0±n/a (kJ/mole-K)
Comments:
First trial
Citation
 Liu, Y; Yang, YW; Cao, R; Song, SH; Zhang, HY; Wang, LH Thermodynamic Origin of Molecular Selective Binding of Bile Salts by Aminated β-Cyclodextrins J Phys Chem B 107:14130 (2003)    Article
Cell React
Name:
BDBM11
Synonyms:
betadex | beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C42H70O35
Mol. Mass.:
1134.37
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](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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Syringe React
Name:
BDBM36165
Synonyms:
cholate (CA)
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(CCC([O-])=O)[C@H]1CCC2C3[C@@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
Structure:
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