Reaction Details | |
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Cell Reactant: | BDBM36269 |
Syringe Reactant: | BDBM36265 |
Meas. Tech.: | ITC |
Entry Date: | 01/03/11 |
ΔG°: | -6.87±0 (kcal/mole) |
pH: | 7.2±0 |
Log10Kb: | 5.03± 2.54 |
Temperature: | 298.15±0 (K) |
ΔH° : | -4.05±0.0900 (kcal/mole) |
ΔHobs: | n/a |
Ionic Strength: | n/a |
n/a | |
Protons Released: | n/a |
ΔCp : | n/a |
Stoich. Param.: | n/a |
ΔS° : | 0.0100±0 (kcal/mole-K) |
Comments: | First trial |
Citation | Liu, Y; Yang, EC; Yang, YW; Zhang, HY; Fan, Z; Ding, F; Cao, R Thermodynamics of the molecular and chiral recognition of cycloalkanols and camphor by modified beta-cyclodextrins possessing simple aromatic tethers. J Org Chem69:173-80 (2004) [PubMed] Article |
More Info.: | Get all data from this article , ITC RUN data , Solution Info , Instrument Info |
BDBM36269 | |
Source: | n/a |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM36269 |
Synonyms: | 6-O-(4-nitrophenyl)-beta-cyclodextrin |
Type | Molecular Host |
Emp. Form. | C48H73NO37 |
Mol. Mass. | 1256.0777 |
SMILES | OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COc3ccc(cc3)[N+]([O-])=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]1[C@H](O)[C@H]2O |
Structure | |
BDBM36265 | |
Source: | n/a |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM36265 |
Synonyms: | (+)-borneol |
Type | Guest |
Emp. Form. | C10H18O |
Mol. Mass. | 154.2493 |
SMILES | CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2 |THB:9:8:1:4.5| |
Structure |
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