Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36126
Syringe Reactant:
BDBM36151
Meas. Tech.:
ITC
Entry Date.:
10/30/10
ΔG°:
-7.494±n/a (kJ/mole)
pH:
7.2±0
Log10Kb:
0.1
Temperature:
298.15±0 (K)
ΔH° :
-28.1±0.544 (kJ/mole)
ΔS° :
-0.069±n/a (kJ/mole-K)
Comments:
First trial
Citation
 Inoue, Y; Hakushi, T; Liu, Y; Tong, LH; Shen, BJ; Jin, DS Thermodynamics of molecular recognition by cyclodextrins. 1. Calorimetric titration of inclusion complexation of naphthalenesulfonates with .alpha.-, .beta.-, and .gamma.-cyclodextrins: enthalpy-entropy compensation J Am Chem Soc 115:475-481 (1993)    Article
Cell React
Name:
BDBM36126
Synonyms:
gamma-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C48H80O40
Mol. Mass.:
1297.1248
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:
BDBM36151
Synonyms:
4-amino-1-naphthalenesulfonate
Type:
Guest
Emp. Form.:
C10H8NO3S
Mol. Mass.:
222.241
SMILES:
Nc1ccc(c2ccccc12)S([O-])(=O)=O
Structure:
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