N-​[2-​(methylthio)​ethyl]​-​2-​[(3,​3,​3-​trifluoropropyl)​thio]​-​Adenosine 5'-​(hydrogen P-​1H-​imidazol-​1-​ylphosphonate)

Analyte Name

N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-Adenosine 5'-(hydrogen P-1H-imidazol-1-ylphosphonate)

CAS Number

1054332-15-8

Molecular Formula

C19 H25 F3 N7 O6 P S2

Molecular Weight

599.544

Accurate Mass

599.1

SMILES

CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)n4ccnc4)[C@@H](O)[C@H]3O

InChI

InChI=1S/C19H25F3N7O6PS2/c1-37-7-4-24-15-12-16(27-18(26-15)38-6-2-19(20,21)22)29(10-25-12)17-14(31)13(30)11(35-17)8-34-36(32,33)28-5-3-23-9-28/h3,5,9-11,13-14,17,30-31H,2,4,6-8H2,1H3,(H,32,33)(H,24,26,27)/t11-,13-,14-,17-/m1/s1

IUPAC

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-imidazol-1-ylphosphinic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat