Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36145
Meas. Tech.:
ITC
Entry Date.:
2010-10-22
ΔG°:
-4.33±0.02 (kcal/mole)
pH:
6.9000±0.0000
Log10Kb:
1.7
Temperature:
298.1500±0.0000 (K)
ΔH° :
-2.3±0.02 (kJ/mole)
ΔS° :
0.01±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:
BDBM36145
Synonyms:
cis-4-Methylcyclohexanol
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@H]1CC[C@@H](O)CC1 |r,wU:1.0,4.4,(1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;1.33,3.85,;2.67,1.54,;2.67,,)|
Structure:
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