Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36085
Meas. Tech.:
ITC
Entry Date.:
10/10/10
ΔG°:
-19.3±0.1 (kJ/mole)
pH:
6.9±0
Log10Kb:
2
Temperature:
298.15±0 (K)
ΔH° :
-19.5±0.2 (kJ/mole)
ΔS° :
-0.0007±0.0007 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, MInoue, Y Chiral Recognition Thermodynamics of β-Cyclodextrin: The Thermodynamic Origin of Enantioselectivity and the Enthalpy-Entropy Compensation Effect J Am Chem Soc 122:4418-35 (2000)  
Cell React
Source:
7585-39-9 (Sigma)
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
Source:
24047-72-1
Name:
BDBM36085
Synonyms:
(1R,2R,5R)-2-hydroxy-3-pinanone
Type:
Guest
Emp. Form.:
C10H16O2
Mol. Mass.:
168.2328
SMILES:
CC1(C)C2CC1[C@@](C)(O)C(=O)C2 |TLB:7:6:4:1,10:9:4:1,8:6:4:1|
Structure:
Search PDB for entries with ligand similarity: