Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36167
Syringe Reactant:
BDBM36168
Meas. Tech.:
ITC
Entry Date.:
2010-11-05
pH:
7.2000±0.0000
Log10Kb:
2.3
Temperature:
298.1500±0.0000 (K)
ΔH° :
-46.0000±0.3000 (kJ/mole)
ΔS° :
-0.0808±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:
BDBM36167
Synonyms:
D-Trp-beta-Cyclodextrin
Type:
Molecular Host
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
Structure:
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Syringe React
Name:
BDBM36168
Synonyms:
deoxycholate (DCA)
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
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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