Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36273
Syringe Reactant:
BDBM36275
Meas. Tech.:
ITC
Entry Date.:
01/03/10
ΔG°:
-39.69±0.042 (kJ/mole)
Log10Kb:
5.3
Temperature:
298.15±0 (K)
ΔH° :
-62.007±0.67 (kJ/mole)
ΔS° :
-0.0749±0.0024 (kJ/mole-K)
Comments:
First trial
Citation
 Kumprecht, L; Budesí­nský, M; Vondrásek, J; Vymetal, J; Cerný, J; Cí­sarová, I; Brynda, J; Herzig, V; Koutní­k, P; Závada, J; Kraus, 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:
BDBM36273
Synonyms:
alpha-cyclodextrin dimer singly bridged dimer, 10
Type:
Molecular Host
Emp. Form.:
C72H118O58S2
Mol. Mass.:
1975.803
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](CSSC[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](CO)O[C@H](O[C@@H]%11[C@@H](CO)O[C@H](O[C@@H]%12[C@@H](CO)O[C@H](O[C@H]6[C@H](O)[C@H]7O)[C@H](O)[C@H]%12O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)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]1[C@H](O)[C@H]2O)[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:
BDBM36275
Synonyms:
1,13-tridecanediol
Type:
Guest
Emp. Form.:
C13H28O2
Mol. Mass.:
216.3602
SMILES:
OCCCCCCCCCCCCCO
Structure:
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