Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36271
Syringe Reactant:
BDBM5
Meas. Tech.:
ITC
Entry Date.:
01/03/11
ΔG°:
-17.68±0.12 (kJ/mole)
pH:
7.2±0
Log10Kb:
1.8
Temperature:
298.15±0 (K)
ΔH° :
-5.82±0.02 (kJ/mole)
ΔS° :
0.0398±0.0004 (kJ/mole-K)
Comments:
First trial
Citation
 Liu, Y; Yang, EC; Yang, YW; Zhang, HY; Fan, Z; Ding, F; Cao, R Thermodynamics of the molecular and chiral recognition of cycloalkanols and camphor by modified beta-cyclodextrins possessing simple aromatic tethers. J Org Chem 69:173-80 (2004) [PubMed]  Article
Cell React
Name:
BDBM36271
Synonyms:
6-O-(4-chlorophenyl)-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C48H73ClO35
Mol. Mass.:
1245.525
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](COc7ccc(Cl)cc7)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:
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Syringe React
Name:
BDBM5
Synonyms:
cyclohexanol | cyclohexanol-d12
Type:
Small organic molecule
Emp. Form.:
C6H12O
Mol. Mass.:
100.1589
SMILES:
OC1CCCCC1
Structure:
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