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Cell Reactant:BDBM4
Syringe Reactant:BDBM50111977
Meas. Tech.:ITC
Entry Date:12/08/10
 
Δ G ° :n/a
pH:4.05±0
Log10Kb:2.62± n/a
Temperature:298.15±0 (K)
ΔH° :-8.80±0.310 (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° :-0.0200± (kcal/mole-K)
Comments:First trial
 
Citation Eftink, MRAndy, MLBystrom, KPerlmutter, HDKristol, DS Cyclodextrin Inclusion Complexes: Studies of the Variation in the Size of Alicyclic Guests J Am Chem Soc111:6765-72 (1989)    Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM4
Source:10016-20-3
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
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BDBM50111977
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM50111977
Synonyms:1-adamantanecarboxylate (AC) | Adamantane-1-carboxylic acid | CHEMBL170568
TypeSmall organic molecule
Emp. Form.C11H16O2
Mol. Mass.180.2435
SMILES[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(O)=O |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5|
Structure
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