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| Reaction Details | |
|---|---|
 | Report a problem with these data |
| Cell Reactant: | BDBM11 |
| Syringe Reactant: | BDBM36133 |
| Meas. Tech.: | ITC |
| Entry Date: | 11/12/10 |
| ΔG°: | -1.46±0.0700 (kcal/mole) |
| pH: | 6.9±0 |
| Log10Kb: | 1.08± 0.146 |
| Temperature: | 298.15±0 (K) |
| ΔH° : | -2.75±0.260 (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; Mayhew, MP; Goldberg, RN; Ross, PD; Yamashoji, Y; Inoue, Y Thermodynamic and Nuclear Magnetic Resonance Study of the Reactions of α- and β-Cyclodextrin with Acids, Aliphatic Amines, and Cyclic Alcohols J Phys Chem B101:87-100 (1997) Article |
| More Info.: | Get all data from this article , ITC RUN data , Solution Info , Instrument Info |
| BDBM11 | |
| Source: | 7585-39-9 |
| Purity: | n/a |
| Prep. Method: | n/a |
| 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 | 
|
| BDBM36133 | |
| Source: | n/a |
| Purity: | n/a |
| Prep. Method: | n/a |
| Name | BDBM36133 |
| Synonyms: | 3-methylphenylacetate | 3-tolylacetic acid |
| Type | Guest |
| Emp. Form. | C9H9O2 |
| Mol. Mass. | 149.1671 |
| SMILES | Cc1cccc(CC([O-])=O)c1 |
| Structure | 
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