Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36173
Meas. Tech.:
ITC
Entry Date.:
2010-10-30
ΔG°:
-1.65±0.12 (kcal/mole)
pH:
6.9000±0.0000
Log10Kb:
0.3
Temperature:
298.1500±0.0000 (K)
ΔH° :
1.03±0.1 (kJ/mole)
ΔS° :
0.01±0 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, MV; Schwarz, FP; Tewari, YB; Goldberg, RN A Thermodynamic Study of the Reactions of Cyclodextrins with Primary and Secondary Aliphatic Alcohols, with D- and L-Phenylalanine, and with L-Phenylalanine Amide J Phys Chem 98:10282-10288 (1994)    Article
Cell React
Source:
7585-39-9
Name:
BDBM11
Synonyms:
betadex | beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C42H70O35
Mol. Mass.:
1134.37
SMILES:
OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Structure:
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Syringe React
Source:
71-36-3
Name:
BDBM36173
Synonyms:
1-butanol | CHEMBL14245 | 1-butanol-d10
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CCCCO
Structure:
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