BDBM36277 alpha-cyclodextrin doubly bridged dimer, 6
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
InChI Key: InChIKey=DTPVZMSJLDWAMF-PKOTZRQHSA-N
Data: 8 ITC
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM36277 | BDBM36278 | PC cid PC sid | PC cid PC sid | -6.88 | 4.63 | -11.5 | 5.05 | n/a | 25 | |
Institute of Organic Chemistry and Biochemistry AS CR | J Org Chem 74: 1082-92 (2009) | |||||||||
BDBM36277 | BDBM36279 | PC cid PC sid | PC cid PC sid | -8.66 | 5.68 | -14.3 | 6.35 | n/a | 25 | |
Institute of Organic Chemistry and Biochemistry AS CR | J Org Chem 74: 1082-92 (2009) | |||||||||
BDBM36277 | BDBM36274 | PC cid PC sid | PC cid PC sid | -10.2 | 6.25 | -16.4 | 7.47 | n/a | 25 | |
Institute of Organic Chemistry and Biochemistry AS CR | J Org Chem 74: 1082-92 (2009) | |||||||||
BDBM36277 | BDBM50046090 | PC cid PC sid | PC cid PC sid | -11.9 | 6.20 | -18.1 | 8.69 | n/a | 25 | |
Institute of Organic Chemistry and Biochemistry AS CR | J Org Chem 74: 1082-92 (2009) | |||||||||
BDBM36277 | BDBM36275 | PC cid PC sid | PC cid PC sid | -12.8 | 6.74 | -19.6 | 9.40 | n/a | 25 | |
Institute of Organic Chemistry and Biochemistry AS CR | J Org Chem 74: 1082-92 (2009) | |||||||||
BDBM36277 | BDBM36276 | PC cid PC sid | PC cid PC sid | -13.5 | 6.77 | -20.3 | 9.93 | n/a | 25 | |
Institute of Organic Chemistry and Biochemistry AS CR | J Org Chem 74: 1082-92 (2009) | |||||||||
BDBM36277 | BDBM22607 | PC cid PC sid | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -8.62 | 2.70 | -11.3 | 6.32 | n/a | 25 | |
Institute of Organic Chemistry and Biochemistry AS CR | J Org Chem 74: 1082-92 (2009) | |||||||||
BDBM36277 | BDBM36280 | PC cid PC sid | CHEBI KEGG MMDB PC cid PC sid PDB | -10.0 | 4.42 | -14.4 | 7.33 | n/a | 25 | |
Institute of Organic Chemistry and Biochemistry AS CR | J Org Chem 74: 1082-92 (2009) |