Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36123
Syringe Reactant:
BDBM50043820
Meas. Tech.:
ITC
Entry Date.:
10/15/10
ΔG°:
-2.95±0.01 (kcal/mole)
pH:
6.9±0
Log10Kb:
0.3
Temperature:
298.15±0 (K)
ΔH° :
-4.59±0.05 (kJ/mole)
ΔS° :
-0.01±0 (kJ/mole-K)
Comments:
First trial
Citation
 Yamamura, H; Rekharsky, MV; Ishihara, Y; Kawai, M; Inoue, Y Factors controlling the complex architecture of native and modified cyclodextrins with dipeptide (Z-Glu-Tyr) studied by microcalorimetry and NMR spectroscopy: critical effects of peripheral bis-trimethylamination and cavity size. J Am Chem Soc 126:14224-33 (2004) [PubMed]  Article
Cell React
Name:
BDBM36123
Synonyms:
AB-TMA2-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C48H86N2O33
Mol. Mass.:
1219.1889
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])(C[N+](C)(C)C)O[C@]([H])(O[C@]6([H])[C@@]([H])(C[N+](C)(C)C)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:
BDBM50043820
Synonyms:
(R)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic acid | CHEMBL291831 | N-acetyl-D-tyrosine
Type:
Small organic molecule
Emp. Form.:
C11H13NO4
Mol. Mass.:
223.2252
SMILES:
CC(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O
Structure:
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