Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36150
Meas. Tech.:
ITC
Entry Date.:
10/30/10
ΔG°:
-12.69±n/a (kJ/mole)
pH:
7.2±0
Log10Kb:
0
Temperature:
298.15±0 (K)
ΔH° :
-12.94±0.628 (kJ/mole)
ΔS° :
-0.0008±n/a (kJ/mole-K)
Comments:
First trial
Citation
 Inoue, YHakushi, TLiu, YTong, LHShen, BJJin, 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
Source:
7585-39-9
Name:
BDBM11
Synonyms:
beta-cyclodextrin | betadex
Type:
Molecular Host
Emp. Form.:
C42H70O35
Mol. Mass.:
1134.9842
SMILES:
[H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O
Structure:
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Syringe React
Name:
BDBM36150
Synonyms:
2,3,6-naphthalenetrisulfonate
Type:
Guest
Emp. Form.:
C10H5O9S3
Mol. Mass.:
365.338
SMILES:
[O-]S(=O)(=O)c1ccc2cc(c(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
Structure:
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