new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Cell Reactant:BDBM4
Syringe Reactant:BDBM50060533
Meas. Tech.:ITC
Entry Date:12/08/10
 
ΔG°:-5.07±0.0500 (kcal/mole)
pH:n/a
Log10Kb:3.58± 2.53
Temperature:308.2±0 (K)
ΔH° :-7.42±0.480 (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° :-0.0100±0 (kcal/mole-K)
Comments:First trial
 
Citation Nilsson MValente AJOlofsson GSöderman OBonini 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
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM4
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM4
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
TypeMolecular Host
Emp. Form.C36H60O30
Mol. Mass.972.8436
SMILES[H]C12OC(CO)C([H])(OC3([H])OC(CO)C([H])(OC4([H])OC(CO)C([H])(OC5([H])OC(CO)C([H])(OC6([H])OC(CO)C([H])(OC7([H])OC(CO)C([H])(O1)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
BDBM50060533
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM50060533
Synonyms:1,12-Bis(trimethyl ammonium)dodecane dibromide | 1,12-bis-(trimethyl ammonium) dodecane dibromide | CHEMBL119701 | Dodecamethonium | N,N,N,N',N',N'-Hexamethyl-1,12-dodecane diaminium dibromide | N,N,N,N',N',N'-Hexamethyldodecane-1,12-diammoniumdibromide | N1,N1,N1,N12,N12,N12-hexamethyldodecane-1,12-diaminium bromide | dodecane-1,12-bis(trimethylammonium bromide)
TypeSmall organic molecule
Emp. Form.C18H42N2
Mol. Mass.286.5384
SMILESC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:

   
    

Home

|

Search

|

Deposit

|

SiteMap

|

About us

|

Email us

|

Info

 
Last update November 1, 2007
©2000 BindingDB. All rights reserved.