Cell Reactant:
BDBM11
Syringe Reactant:
BDBM26983
Meas. Tech.:
ITC
Entry Date.:
10/15/10
ΔG°:
-0.96±0.14 (kcal/mole)
pH:
6.9±0
Log10Kb:
0
Temperature:
298.15±0 (K)
ΔH° :
-4.31±0.72 (kJ/mole)
ΔS° :
-0.01±0 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, MVInoue, Y Complexation and chiral recognition thermodynamics of 6-amino-6-deoxy-beta-cyclodextrin with anionic, cationic, and neutral chiral guests: counterbalance between van der Waals and coulombic interactions. J Am Chem Soc 124:813-26 (2002) [PubMed]  Article
Cell React
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:
BDBM26983
Synonyms:
CHEMBL1644028 | SCN(-1) | Thiocyanate | cyanosulfanide | sodium thiocyanate
Type:
Ion
Emp. Form.:
CNS
Mol. Mass.:
58.083
SMILES:
[N-]=C=S
Structure:
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