Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36260
Meas. Tech.:
ITC
Entry Date.:
12/22/10
ΔG°:
-19.3±0.42 (kJ/mole)
pH:
5.5±0
Temperature:
298±0 (K)
ΔH° :
-23.9±0.42 (kJ/mole)
ΔS° :
-0.0155±0.0028 (kJ/mole-K)
Comments:
First trial
Citation
 Godínez, LAPatel, SCriss, CMKaifer, AE Calorimetric Studies on the Complexation of Several Ferrocene Derivatives by .alpha.- and .beta.-Cyclodextrin. Effects of Urea on the Thermodynamic Parameters J Phys Chem 99:17449-55 (1995)  
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:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM36260
Synonyms:
alkyldimethyl(ferrocenylmethy1)ammonium (2+)
Type:
Guest
Emp. Form.:
C15H27N
Mol. Mass.:
221.3816
SMILES:
CCCCCCC[N+](C)(C)Cc1ccc[cH-]1
Structure:
Search PDB for entries with ligand similarity: