Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM50240408
Meas. Tech.:
ITC
Entry Date.:
11/12/10
ΔG°:
-14.2±1.5 (kJ/mole)
pH:
6.9±0
Log10Kb:
2.1
Temperature:
298.15±0 (K)
ΔH° :
1.75±0.33 (kJ/mole)
ΔS° :
0.0535±0.0015 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, MV; Mayhew, MP; Goldberg, RN; Ross, PD; Yamashoji, Y; Inoue, Y Thermodynamic and Nuclear Magnetic Resonance Study of the Reactions of α- and β-Cyclodextrin with Acids, Aliphatic Amines, and Cyclic Alcohols J Phys Chem B 101:87-100 (1997)    Article
Cell React
Source:
7585-39-9
Name:
BDBM11
Synonyms:
beta-cyclodextrin | betadex
Type:
Molecular Host
Emp. Form.:
C42H70O35
Mol. Mass.:
1134.9842
SMILES:
[H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM50240408
Synonyms:
1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthate | enanthylate | heptanoate | heptanoic acid, ion(1-) | heptoate | heptylate | n-heptanoate | n-heptoate | n-heptylate | oenanthate | oenanthylate
Type:
Small organic molecule
Emp. Form.:
C7H13O2
Mol. Mass.:
129.1775
SMILES:
CCCCCCC([O-])=O
Structure:
Search PDB for entries with ligand similarity: