Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36284
Syringe Reactant:
BDBM50225188
Meas. Tech.:
ITC
Entry Date.:
01/10/11
ΔG°:
-21.88±n/a (kJ/mole)
pH:
7±0
Log10Kb:
2.5
Temperature:
298.15±0 (K)
Comments:
First trial
Citation
 Rauwald, U; Biedermann, F; Deroo, S; Robinson, CV; Scherman, OA Correlating solution binding and ESI-MS stabilities by incorporating solvation effects in a confined cucurbit[8]uril system. J Phys Chem B 114:8606-15 (2010) [PubMed]  Article
Cell React
Name:
BDBM36284
Synonyms:
BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8]uril Complex (MV-CB[8]) | SAMPL3, H3
Type:
Molecular Host
Emp. Form.:
C48H48N32O16
Mol. Mass.:
1329.0995
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:
BDBM50225188
Synonyms:
(2-(2-amino-6-oxo-1,6,7,8-tetrahydropurin-9-yl)ethoxy)methylphosphonate | 4-Fluoro-phenol | 4-fluorophenol | CHEMBL559509 | CHEMBL56226 | SR-1C10
Type:
Small organic molecule
Emp. Form.:
C8H14N5O5P
Mol. Mass.:
291.201
SMILES:
Nc1nc2N(CCOCP(O)(O)=O)CNc2c(=O)[nH]1
Structure:
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