Cell Reactant:
BDBM36277
Syringe Reactant:
BDBM36278
Meas. Tech.:
ITC
Entry Date.:
01/03/10
ΔG°:
-28.81±0.042 (kJ/mole)
Log10Kb:
3.2
Temperature:
298.15±0 (K)
ΔH° :
-48.19±0.42 (kJ/mole)
ΔS° :
-0.065±0.0015 (kJ/mole-K)
Comments:
First trial
Citation
 Kumprecht, LBudesí­nský, MVondrásek, JVymetal, JCerný, JCí­sarová, IBrynda, JHerzig, VKoutní­k, PZávada, JKraus, T Rigid duplex alpha-cyclodextrin reversibly connected with disulfide bonds. Synthesis and inclusion complexes. J Org Chem 74:1082-92 (2009) [PubMed]  Article
Cell React
Name:
BDBM36277
Synonyms:
alpha-cyclodextrin doubly bridged dimer, 6
Type:
Molecular Host
Emp. Form.:
C72H116O56S4
Mol. Mass.:
2005.918
SMILES:
OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@H]5CSSC[C@H]6O[C@@H]7O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@@H]%10[C@@H](CSSC[C@H]%11O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]%11O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H](O5)[C@H](O)[C@H]4O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@H](O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]6[C@H](O)[C@H]7O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]3O
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM36278
Synonyms:
1,9-nonanediol
Type:
Guest
Emp. Form.:
C9H20O2
Mol. Mass.:
160.2539
SMILES:
OCCCCCCCCCO
Structure:
Search PDB for entries with ligand similarity: