Reaction Details | |
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Cell Reactant: | BDBM36127 |
Syringe Reactant: | BDBM36181 |
Meas. Tech.: | ITC |
Entry Date: | 11/12/10 |
ΔG°: | -2.47±0.0200 (kcal/mole) |
pH: | 6.9±0 |
Log10Kb: | 1.81± 0.301 |
Temperature: | 298.15±0 (K) |
ΔH° : | -1.89±0.0400 (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 | Rekharsky, MV; Inoue, Y Solvent and guest isotope effects on complexation thermodynamics of alpha-, beta-, and 6-amino-6-deoxy-beta-cyclodextrins. J Am Chem Soc124:12361-71 (2002) [PubMed] Article |
More Info.: | Get all data from this article , ITC RUN data , Solution Info , Instrument Info |
BDBM36127 | |
Source: | n/a |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM36127 |
Synonyms: | 6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6-NH2-beta-cyclodextrin | mono(6-amino-6-deoxy)-beta-cyclodextrin |
Type | Molecular Host |
Emp. Form. | C42H72NO34 |
Mol. Mass. | 1135.0068 |
SMILES | [NH3+]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](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 | |
BDBM36181 | |
Source: | n/a |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM36181 |
Synonyms: | SODIUM BENZOATE | benzoate | benzoic acid | benzoic acid-d5 |
Type | Guest |
Emp. Form. | C7H5O2 |
Mol. Mass. | 121.1139 |
SMILES | [O-]C(=O)c1ccccc1 |
Structure |
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