Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36207
Meas. Tech.:
ITC
Entry Date.:
2010-12-08
pH:
8.5000±0.0000
Temperature:
298.1500±0.0000 (K)
ΔH° :
-1.8±0.2 (kJ/mole)
ΔS° :
0.01±n/a (kJ/mole-K)
Comments:
First trial
Citation
 Eftink, MR; Andy, ML; Bystrom, K; Perlmutter, HD; Kristol, DS Cyclodextrin Inclusion Complexes: Studies of the Variation in the Size of Alicyclic Guests J Am Chem Soc 111:6765-72 (1989)    Article
Cell React
Source:
7585-39-9
Name:
BDBM11
Synonyms:
betadex | beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C42H70O35
Mol. Mass.:
1134.37
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](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:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM36207
Synonyms:
Bicyclo[2.2.1]heptene-1-carboxylic acid (221ene)
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
OC(=O)C12CCC(C1)C=C2 |c:9|
Structure:
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