Reaction Details | |
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Cell Reactant: | BDBM36125 |
Syringe Reactant: | BDBM50043820 |
Meas. Tech.: | ITC |
Entry Date: | 10/15/10 |
ΔG°: | -2.91±0.0100 (kcal/mole) |
pH: | 6.9±0 |
Log10Kb: | 2.13± 0.301 |
Temperature: | 298.15±0 (K) |
ΔH° : | -4.09±0.0500 (kcal/mole) |
ΔHobs: | n/a |
Ionic Strength: | n/a |
n/a | |
Protons Released: | n/a |
ΔCp : | n/a |
Stoich. Param.: | n/a |
ΔS° : | 0±0 (kcal/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 Soc126:14224-33 (2004) [PubMed] Article |
More Info.: | Get all data from this article , ITC RUN data , Solution Info , Instrument Info |
BDBM36125 | |
Source: | n/a |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM36125 |
Synonyms: | AD-TMA2-beta-cyclodextrin |
Type | Molecular Host |
Emp. Form. | C48H86N2O33 |
Mol. Mass. | 1219.1889 |
SMILES | C[N+](C)(C)C[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](C[N+](C)(C)C)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]1[C@H](O)[C@H]2O)[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 | |
BDBM50043820 | |
Source: | n/a |
Purity: | n/a |
Prep. Method: | n/a |
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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