N-​[2-(methylsulfinyl)ethyl]​-​2-​[(3,​3,​3-​trifluoropropyl)​thio]​-​Adenosine

Analyte Name

N-[2-(methylsulfinyl)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-Adenosine

Molecular Formula

C16 H22 F3 N5 O5 S2

Molecular Weight

485.502

Accurate Mass

485.101

SMILES

CS(=O)CCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

InChI

InChI=1S/C16H22F3N5O5S2/c1-31(28)5-3-20-12-9-13(23-15(22-12)30-4-2-16(17,18)19)24(7-21-9)14-11(27)10(26)8(6-25)29-14/h7-8,10-11,14,25-27H,2-6H2,1H3,(H,20,22,23)/t8-,10-,11-,14-,31?/m1/s1

IUPAC

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(2-methylsulfinylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolane-3,4-diol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat