Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36126
Syringe Reactant:
BDBM36237
Meas. Tech.:
ITC
Entry Date.:
2010-12-08
ΔG°:
-6.0000±2.0000 (kJ/mole)
pH:
6.9000±0.0000
Log10Kb:
0.6
Temperature:
298.1500±0.0000 (K)
ΔH° :
-68.0000±20.0000 (kJ/mole)
ΔS° :
-0.2080±0.0671 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, MV; Yamamura, H; Kawai, M; Inoue, Y Complexation and chiral recognition thermodynamics of gamma-cyclodextrin with N-acetyl- and N-carbobenzyloxy-dipeptides possessing two aromatic rings. J Org Chem 68:5228-35 (2003) [PubMed]  Article
Cell React
Name:
BDBM36126
Synonyms:
gamma-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](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]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[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:
BDBM36237
Synonyms:
Cbz-L-Ala-L-Trp
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Structure:
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