Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36166
Syringe Reactant:
BDBM36168
Meas. Tech.:
ITC
Entry Date.:
11/05/10
pH:
7.2±0
Log10Kb:
1.5
Temperature:
298.15±0 (K)
ΔH° :
-32.1±0.2 (kJ/mole)
ΔS° :
-0.0433±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:
BDBM36166
Synonyms:
L-Trp-beta-Cyclodextrin
Type:
Molecular Host
Emp. Form.:
C53H80N2O36
Mol. Mass.:
1321.1941
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](CN[C@@H](Cc7c[nH]c8ccccc78)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:
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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