Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36034
Meas. Tech.:
ITC
Entry Date.:
2010-11-12
ΔG°:
-2.6±0.01 (kcal/mole)
pH:
6.9000±0.0000
Log10Kb:
0.3
Temperature:
298.1500±0.0000 (K)
ΔH° :
-2.11±0.02 (kJ/mole)
ΔS° :
0±0 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, MV; Inoue, Y Solvent and guest isotope effects on complexation thermodynamics of alpha-, beta-, and 6-amino-6-deoxy-beta-cyclodextrins. J Am Chem Soc 124:12361-71 (2002) [PubMed]  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:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM36034
Synonyms:
N-acetyl-L-phenylalanine-d5 | N-acetyl-L-phenylalanine-d8 | N-acetyl-L-phenylalanine
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(=O)N[C@@H](Cc1ccccc1)C([O-])=O
Structure:
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