Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36138
Meas. Tech.:
ITC
Entry Date.:
10/22/10
pH:
6.9±0
Log10Kb:
0.3
Temperature:
298.15±0 (K)
ΔH° :
-2.27±0.04 (kJ/mole)
ΔS° :
0±0 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky , M; Yamamura, H; Kawai, M; Inoue, Y Critical Difference in Chiral Recognition of N-Cbz-d/l-aspartic and -glutamic Acids by Mono- and Bis(Trimethylammonio)-β-cyclodextrins J Am Chem Soc 123:5360-5361 (2000)  
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:
BDBM36138
Synonyms:
Cbz-D-Asp
Type:
Guest
Emp. Form.:
C12H13NO6
Mol. Mass.:
267.2347
SMILES:
OC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(O)=O
Structure:
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