Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36284
Syringe Reactant:
BDBM36306
Meas. Tech.:
ITC
Entry Date.:
2011-01-10
ΔG°:
-28.5000±0.4200 (kJ/mole)
pH:
7.0000±0.0000
Log10Kb:
4.7
Temperature:
300.1500±0.0000 (K)
ΔH° :
-53.1700±0.8400 (kJ/mole)
ΔS° :
-0.0823±0.0042 (kJ/mole-K)
Comments:
First trial
Citation
 Biedermann, F; Rauwald, U; Cziferszky, M; Williams, KA; Gann, LD; Guo, BY; Urbach, AR; Bielawski, CW; Scherman, OA Benzobis(imidazolium)-cucurbit[8]uril complexes for binding and sensing aromatic compounds in aqueous solution. Chemistry 16:13716-22 (2010) [PubMed]  Article
Cell React
Name:
BDBM36284
Synonyms:
SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[8]uril Complex (MV-CB[8]) | BDBM36310
Type:
Molecular Host
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
O=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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Syringe React
Name:
BDBM36306
Synonyms:
2-MeO-DBF-NHCOO-5k-PEG-OMe
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1cc2oc3ccccc3c2cc1OC
Structure:
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