Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36246
Syringe Reactant:
BDBM36244
Meas. Tech.:
ITC
Entry Date.:
2010-12-08
pH:
7.0000±0.0000
Log10Kb:
5.7
Temperature:
298.1500±0.0000 (K)
ΔH° :
-12.2±0.12 (kJ/mole)
ΔS° :
-0.01±0 (kJ/mole-K)
Comments:
First trial
Citation
 Kano, K; Nishiyabu, R; Doi, R Novel behavior of O-methylated beta-cyclodextrins in inclusion of meso-tetraarylporphyrins. J Org Chem 70:3667-73 (2005) [PubMed]  Article
Cell React
Name:
BDBM36246
Synonyms:
2,3-DMe-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CO[C@H]1[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O2)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC)[C@@H]1OC
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM36244
Synonyms:
5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
OC(=O)c1cc(cc(c1)-c1c2ccc(n2)c(-c2ccccc2)c2ccc(n2)c(-c2cc(cc(c2)C(O)=O)C(O)=O)c2ccc([nH]2)c(-c2cc(cc(c2)C(O)=O)C(O)=O)c2ccc1[nH]2)C(O)=O
Structure:
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