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| Ligand Name: 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-D-CELLOBIOSIDE |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB684 |
PubChem:
445981
|
Synonym(s):
- 154862-23-4
- ddfcb
- 2,4-dinitrophenyl 2-deoxy-2-fluoro-4-o-beta-d-glucopyranosyl-beta-d-glucopyranoside
- (2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 2',4'-dinitrophenyl-2-deoxy-2-fluorocellobioside
- schembl5490206
- 2',4'-dinitrophenyl-2-deoxy-2-fluoro-beta-d-cellobioside
- dtxsid40935084
- 2,4-dinitrophenyl 2-deoxy-2-fluoro-4-o-hexopyranosylhexopyranoside
- db04086
- q27459168
- beta-d-glucopyranoside, 2,4-dinitrophenyl 2-deoxy-2-fluoro-4-o-beta-d-glucopyranosyl-
show 11 synonym(s)
|
| DrugBank: DB04086 |
ChEMBL: CHEMBL1232137 |
| Canonical SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])ccc1O[C@H]2[C@H](F)[C@@H](O)[C@@H]([C@H](O2)CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO |
| Standard InChI: InChI=1S/C18H23FN2O14/c19-11-13(25)16(35-18-15(27)14(26)12(24)9(4-22)33-18)10(5-23)34-17(11)32-8-2-1-6(20(28)29)3-7(8)21(30)31/h1-3,9-18,22-27H,4-5H2/t9-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1 |
| Molecular Formula: C18H23FN2O14 |
Mol. Weight: 510.11334 |
logP: -2.5169 |
| HBD: 6 | HBA: 14 |
| #Rotatable Bonds: 8 | TPSA: 244.58 |