Cell Reactant:
BDBM36127
Syringe Reactant:
BDBM36181
Meas. Tech.:
ITC
Entry Date.:
11/12/10
ΔG°:
-10.8±0.1 (kJ/mole)
pH:
6.9±0
Log10Kb:
0.5
Temperature:
298.15±0 (K)
ΔH° :
-7.65±0.15 (kJ/mole)
ΔS° :
0.0107±0.0007 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, MVInoue, 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
Name:
BDBM36127
Synonyms:
6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6-NH2-beta-cyclodextrin | mono(6-amino-6-deoxy)-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C42H72NO34
Mol. Mass.:
1135.0068
SMILES:
[NH3+]C[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:
BDBM36181
Synonyms:
SODIUM BENZOATE | benzoate | benzoic acid | benzoic acid-d5
Type:
Guest
Emp. Form.:
C7H5O2
Mol. Mass.:
121.1139
SMILES:
[O-]C(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: