Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36269
Syringe Reactant:
BDBM36266
Meas. Tech.:
ITC
Entry Date.:
2011-01-03
ΔG°:
-6.4±0.07 (kcal/mole)
pH:
7.2000±0.0000
Log10Kb:
3.6
Temperature:
298.1500±0.0000 (K)
ΔH° :
-5.5±0.18 (kJ/mole)
ΔS° :
0±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.:
n/a
Mol. Mass.:
n/a
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:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM36266
Synonyms:
(-)-borneol
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2 |THB:9:8:5.4:1|
Structure:
Search PDB for entries with ligand similarity: