Cell Reactant:
BDBM36248
Syringe Reactant:
BDBM36244
Meas. Tech.:
ITC
Entry Date.:
12/08/10
pH:
7±0
Log10Kb:
3
Temperature:
298.15±0 (K)
ΔH° :
-24±0.5 (kJ/mole)
ΔS° :
0.0057±0.0017 (kJ/mole-K)
Comments:
First trial
Citation
 Kano, KNishiyabu, RDoi, 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:
BDBM36248
Synonyms:
TMe-gamma-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C72H128O40
Mol. Mass.:
1633.7627
SMILES:
COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COC)O[C@H](O[C@@H]4[C@@H](COC)O[C@H](O[C@@H]5[C@@H](COC)O[C@H](O[C@@H]6[C@@H](COC)O[C@H](O[C@@H]7[C@@H](COC)O[C@H](O[C@@H]8[C@@H](COC)O[C@H](O[C@@H]9[C@@H](COC)O[C@H](O[C@H]1[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]9OC)[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
Structure:
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Syringe React
Name:
BDBM36244
Synonyms:
5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin
Type:
Guest
Emp. Form.:
C50H30N4O12
Mol. Mass.:
878.7928
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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