CAS 81821-86-5

2-[(6-{[(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)carbonyl]amino}hexanoyl)oxy]propane-1,3-diyl didecanoate

Description:

The chemical substance known as 2-[(6-{[(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)carbonyl]amino}hexanoyl)oxy]propane-1,3-diyl didecanoate, with the CAS number 81821-86-5, is a complex organic compound characterized by its multi-functional structure. It features a didecanoate moiety, indicating the presence of two decanoate (fatty acid) chains, which contributes to its lipophilicity. The molecule also contains a pyrimidine derivative, specifically a 5-fluoro-2,4-dioxo structure, which may impart biological activity, potentially influencing its pharmacological properties. The presence of an amino group and an ester linkage suggests that it may participate in various chemical reactions, including hydrolysis and amide formation. This compound's unique structure may allow it to interact with biological systems, making it of interest in medicinal chemistry and drug development. Its solubility, stability, and reactivity would depend on the specific conditions, such as pH and temperature, as well as the presence of other solvents or reagents.

Formula: C₃₄H₅₆FN₃O₉

InChI: InChI=1/C34H56FN3O9/c1-3-5-7-9-11-13-16-20-29(39)45-25-27(26-46-30(40)21-17-14-12-10-8-6-4-2)47-31(41)22-18-15-19-23-36-33(43)38-24-28(35)32(42)37-34(38)44/h24,27H,3-23,25-26H2,1-2H3,(H,36,43)(H,37,42,44)

SMILES: CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCN=C(n1cc(c(nc1=O)O)F)O