Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36098
Meas. Tech.:
ITC
Entry Date.:
2010-10-22
ΔG°:
-3.54±0.01 (kcal/mole)
pH:
6.9000±0.0000
Log10Kb:
0.8
Temperature:
298.1500±0.0000 (K)
ΔH° :
-2.19±0.01 (kJ/mole)
ΔS° :
0±0 (kJ/mole-K)
Comments:
First trial
Citation
 Ross, PD; Rekharsky, MV Thermodynamics of hydrogen bond and hydrophobic interactions in cyclodextrin complexes. Biophys J 71:2144-54 (1996) [PubMed]  Article
Cell React
Source:
7585-39-9
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:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM36098
Synonyms:
3-Phenylbutyrate | (R)-3-phenylbutyric acid
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@H](CC([O-])=O)c1ccccc1
Structure:
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