Cell Reactant:
BDBM36127
Syringe Reactant:
BDBM36138
Meas. Tech.:
ITC
Entry Date.:
10/22/10
pH:
6.9±0
Log10Kb:
0.3
Temperature:
298.15±0 (K)
ΔH° :
-12.18±0.15 (kJ/mole)
ΔS° :
0.0015±0.0005 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky , MYamamura, HKawai, MInoue, Y Critical Difference in Chiral Recognition of N-Cbz-d/l-aspartic and -glutamic Acids by Mono- and Bis(Trimethylammonio)-β-cyclodextrins J Am Chem Soc 123:5360-5361 (2000)  
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:
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Syringe React
Name:
BDBM36138
Synonyms:
Cbz-D-Asp
Type:
Guest
Emp. Form.:
C12H13NO6
Mol. Mass.:
267.2347
SMILES:
OC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(O)=O
Structure:
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