Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM8
Meas. Tech.:
Titration calorimetry and NMR
Entry Date.:
2000-12-13
ΔG°:
-13.9000±0.3000 (kJ/mole)
pH:
6.9000±n/a
Log10Kb:
1.4
Temperature:
298.1500±n/a (K)
ΔH° :
-9.8000±0.4000 (kJ/mole)
ΔHobs :
-9.8000±n/a (kJ/mole)
Stoich. Param.:
1.0000
ΔS° :
0.0140±0.0020 (kJ/mole-K)
Citation
 Rekharsky, MV; Schwarz, FP; Tewari, YD; Goldberg, RN; Tanaka, M; Yamashoji, Y THERMODYNAMIC AND NMR STUDY OF THE INTERACTIONS OF CYCLODEXTRINS WITH CYCLOHEXANE DERIVATIVES J Phys Chem 98:4098-4103 (1994)  
Cell React
Source:
Sigma
Purity:
98.0%
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
Source:
Aldrich
Purity:
99.5%
Name:
BDBM8
Synonyms:
trans-1,2-cyclohexanediol | (1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanediol
Type:
Small organic molecule
Emp. Form.:
C6H12O2
Mol. Mass.:
116.08
SMILES:
OC1CCCC[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: