CAS 118694-10-3

[(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxo lan-2-yl]methyl octanoate

Description:

The chemical substance with the name "[(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxo lan-2-yl]methyl octanoate" and CAS number 118694-10-3 is a complex organic compound characterized by its specific stereochemistry and functional groups. It features a pyrimidine ring with fluorine and dioxo substituents, which contribute to its biological activity and potential pharmacological properties. The presence of multiple hydroxyl groups indicates that it may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. The octanoate moiety suggests that it has a fatty acid component, which may enhance its lipophilicity and membrane permeability. This compound is likely to be of interest in medicinal chemistry, particularly in the development of therapeutics, due to its structural features that may interact with biological targets. Its stereochemistry, indicated by the (2R,3R,4R,5R) configuration, is crucial for its biological activity, as the three-dimensional arrangement of atoms can significantly affect how the molecule interacts with enzymes or receptors in biological systems.

Formula: C₁₇H₂₅FN₂O₇

InChI: InChI=1/C17H25FN2O7/c1-2-3-4-5-6-7-12(21)26-9-11-13(22)14(23)16(27-11)20-8-10(18)15(24)19-17(20)25/h8,11,13-14,16,22-23H,2-7,9H2,1H3,(H,19,24,25)/t11-,13-,14-,16-/m1/s1

SMILES: CCCCCCCC(=O)OC[C@@H]1[C@H]([C@H]([C@H](n2cc(c(nc2=O)O)F)O1)O)O

Synonyms:

• 5'-Octanoyl-5-Fluoro-2'-Deoxyuridine
• 5-fluoro-5'-O-octanoyluridine