TL;DR: 1-Fluoroglucopyranosyl fluoride (CAS 138079-73-9) is a chemical compound with molecular formula C6H10F2O5 and molecular weight 200.04964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4S,5S,6R)-2,2-difluoro-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: 1-Fluoroglucopyranosyl fluoride, 1-fluoroglucopyranosylfluoride, fluoroglucopyranosyl fluoride, 1,5-Anhydro-1,1-difluoro-D-glucitol, (3R,4S,5S,6R)-2,2-difluoro-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C6H10F2O5 |
| Molecular Weight | 200.04964 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.04964 Da |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H](C(O1)(F)F)O)O)O)O |
| InChIKey | ABHUQGCQAICAGN-SQOUGZDYSA-N |
The XLogP value of -1.3 indicates that 1-Fluoroglucopyranosyl fluoride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Fluoroglucopyranosyl fluoride. Following Lipinski's Rule of Five, 1-Fluoroglucopyranosyl fluoride has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Fluoroglucopyranosyl fluoride is 138079-73-9.
The molecular formula of 1-Fluoroglucopyranosyl fluoride is C6H10F2O5.
The molecular weight of 1-Fluoroglucopyranosyl fluoride is 200.04964 g/mol.
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