CAS 70650-86-1
:(2R,3R,4R,5R)-2-[2-amino-7-(2-fluoroethyl)-6-oxo-6,7-dihydro-3H-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-olate (non-preferred name)
Description:
The chemical substance with the name "(2R,3R,4R,5R)-2-[2-amino-7-(2-fluoroethyl)-6-oxo-6,7-dihydro-3H-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-olate" and CAS number "70650-86-1" is a complex organic compound characterized by its specific stereochemistry and functional groups. It features a tetrahydrofuran ring, which is a five-membered cyclic ether, and incorporates a purine derivative, indicating potential biological activity, particularly in nucleic acid metabolism or as a pharmaceutical agent. The presence of amino and hydroxy groups suggests it may engage in hydrogen bonding, influencing its solubility and reactivity. The fluorinated ethyl group may enhance its lipophilicity, potentially affecting its pharmacokinetic properties. This compound is likely to be of interest in medicinal chemistry, particularly in the development of antiviral or anticancer agents, given the structural motifs associated with nucleoside analogs. Its specific stereochemistry (R configurations) may also play a crucial role in its biological interactions and efficacy.
Formula:C12H16FN5O5
InChI:InChI=1/C12H16FN5O5/c13-1-2-17-4-18(9-6(17)10(22)16-12(14)15-9)11-8(21)7(20)5(3-19)23-11/h4-5,7-8,11,19-20H,1-3H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1
SMILES:C(C[n+]1cn(c2c1c(nc(=N)[nH]2)O)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)[O-])F
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