Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36168
Meas. Tech.:
ITC
Entry Date.:
11/05/10
pH:
7.2±0
Log10Kb:
1.3
Temperature:
298.15±0 (K)
ΔH° :
-6.17±0 (kJ/mole)
ΔS° :
-0±n/a (kJ/mole-K)
Comments:
First trial
Citation
 Wang, H; Cao, R; Ke, CF; Liu, Y; Wada, T; Inoue, Y Diastereomeric molecular recognition and binding behavior of bile acids by L/D-tryptophan-modified beta-cyclodextrins. J Org Chem 70:8703-11 (2005) [PubMed]  Article
Cell React
Name:
BDBM11
Synonyms:
beta-cyclodextrin | betadex
Type:
Molecular 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:
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Syringe React
Name:
BDBM36168
Synonyms:
deoxycholate (DCA)
Type:
Guest
Emp. Form.:
C24H39O4
Mol. Mass.:
391.5646
SMILES:
CC(CCC([O-])=O)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
Structure:
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