ITC Summary

Reaction Details

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Cell Reactant:

BDBM36124

Syringe Reactant:

BDBM50043820

Meas. Tech.:

ITC

Entry Date:

10/15/10

ΔG°:

-3.16±0.0100 (kcal/mole)

pH:

6.9±0

Log₁₀Kb:

2.31± 0.301

Temperature:

298.15±0 (K)

ΔH° :

-4.71±0.0500 (kcal/mole)

ΔH_obs:

n/a

Ionic Strength:

n/a

Corrected for ΔH_ioniz:

n/a

Protons Released:

n/a

ΔC_p :

n/a

Stoich. Param.:

n/a

ΔS° :

-0.0100±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

BDBM36124

Source:

n/a

Purity:

n/a

Prep. Method:

n/a

Name

BDBM36124

Synonyms:

AC-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](C[N+](C)(C)C)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)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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