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Cell Reactant:BDBM36284
Syringe Reactant:BDBM36306
Meas. Tech.:ITC
Entry Date:01/10/11
 
ΔG°:-7.82±0.100 (kcal/mole)
pH:7±0
Log10Kb:5.75± 4.78
Temperature:298.15±0 (K)
ΔH° :-25.8±0.200 (kcal/mole)
ΔHobs:n/a
Ionic Strength:n/a
Corrected for ΔHioniz:n/a
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :-0.0600±0 (kcal/mole-K)
Comments:First trial
 
Citation Biedermann, FRauwald, UCziferszky, MWilliams, KAGann, LDGuo, BYUrbach, ARBielawski, CWScherman, OA Benzobis(imidazolium)-cucurbit[8]uril complexes for binding and sensing aromatic compounds in aqueous solution. Chemistry16:13716-22 (2010) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM36284
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM36284
Synonyms:BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8]uril Complex (MV-CB[8]) | SAMPL3, H3
TypeMolecular Host
Emp. Form.C48H48N32O16
Mol. Mass.1329.0995
SMILESO=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN%18C%19C%20N(CN%21C%22C%23N(CN1C1C2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%22C(=O)N%23CN1C2=O)C%21=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O
Structure
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BDBM36306
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM36306
Synonyms:2-MeO-DBF-NHCOO-5k-PEG-OMe
TypeGuest
Emp. Form.C243H469NO118
Mol. Mass.5293.2599
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1cc2oc3ccccc3c2cc1OC
Structure
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