Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36269
Syringe Reactant:
BDBM5
Meas. Tech.:
ITC
Entry Date.:
01/03/11
ΔG°:
-4.32±0.01 (kcal/mole)
pH:
7.2±0
Log10Kb:
1.2
Temperature:
298.15±0 (K)
ΔH° :
-0.82±0.01 (kJ/mole)
ΔS° :
0.01±0 (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:
BDBM36269
Synonyms:
6-O-(4-nitrophenyl)-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C48H73NO37
Mol. Mass.:
1256.0777
SMILES:
OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COc3ccc(cc3)[N+]([O-])=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]1[C@H](O)[C@H]2O
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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