Reaction Details  Report a problem with these data
Cell Reactant:
BDBM4
Syringe Reactant:
BDBM50060533
Meas. Tech.:
ITC
Entry Date.:
2010-12-08
ΔG°:
-21.2000±0.2000 (kJ/mole)
Log10Kb:
2.5
Temperature:
308.2000±0.0000 (K)
ΔH° :
-31.0000±2.0000 (kJ/mole)
ΔS° :
-0.0310±0.0020 (kJ/mole-K)
Comments:
First trial
Citation
 Nilsson, M; Valente, AJ; Olofsson, G; Söderman, O; Bonini, M Thermodynamic and kinetic characterization of host-guest association between bolaform surfactants and alpha- and beta-cyclodextrins. J Phys Chem B 112:11310-6 (2008) [PubMed]  Article
Cell React
Name:
BDBM4
Synonyms:
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol | alpha-cyclodextrin
Type:
Molecular Host
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM50060533
Synonyms:
N1,N1,N1,N12,N12,N12-hexamethyldodecane-1,12-diaminium bromide | CHEMBL119701 | dodecane-1,12-bis(trimethylammonium bromide) | 1,12-bis-(trimethyl ammonium) dodecane dibromide | Dodecamethonium | N,N,N,N',N',N'-Hexamethyl-1,12-dodecane diaminium dibromide | N,N,N,N',N',N'-Hexamethyldodecane-1,12-diammoniumdibromide | 1,12-Bis(trimethyl ammonium)dodecane dibromide
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: