Cell Reactant:
BDBM4
Syringe Reactant:
BDBM9
Meas. Tech.:
Titration calorimetry and NMR
Entry Date.:
12/13/00
ΔG°:
-4.02±0.05 (kcal/mole)
pH:
6.9±n/a
Log10Kb:
1.7
Temperature:
298.15±n/a (K)
ΔH° :
-4.43±0.1 (kJ/mole)
ΔHobs :
-4.43±n/a (kJ/mole)
Stoich. Param.:
1
ΔS° :
-0±0 (kJ/mole-K)
Citation
 Rekharsky, MVSchwarz, FPTewari, YDGoldberg, RNTanaka, MYamashoji, Y THERMODYNAMIC AND NMR STUDY OF THE INTERACTIONS OF CYCLODEXTRINS WITH CYCLOHEXANE DERIVATIVES J Phys Chem 98:4098-4103 (1994)  
Cell React
Source:
Sigma
Purity:
98.8%
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.:
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:
Syringe React
Source:
Aldrich
Purity:
99.5%
Name:
BDBM9
Synonyms:
1-hexanol | 1-hexyl alcohol | hexan-1-ol | n-hexanol
Type:
Small organic molecule
Emp. Form.:
C6H14O
Mol. Mass.:
102.1748
SMILES:
CCCCCCO
Structure:
Search PDB for entries with ligand similarity: