TL;DR: 2',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranoside (CAS 143716-62-5) is a chemical compound with molecular formula C12H13FN2O9 and molecular weight 348.06052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol
Also Known As: Dinitroph-dfgp, 2',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranoside, 2,4-Dinitrophenyl 2-deoxy-2-fluoro-beta-d-galactoside, (2R,3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol, 2,4-Dinitrophenyl 2-Deoxy-2-fluoro-
| Molecular Formula | C12H13FN2O9 |
| Molecular Weight | 348.06052 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.06052 Da |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)F |
| InChIKey | UFSBFVZQJZMIOU-RMPHRYRLSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranoside. The TPSA of 171.0 Ų indicates high polarity, suggesting 2',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranoside has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranoside is 143716-62-5.
The molecular formula of 2',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranoside is C12H13FN2O9.
The molecular weight of 2',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranoside is 348.06052 g/mol.
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