Analyte Name

2-[(3,3,3-Trifluoropropyl)thio]adenosine

CAS Number

163706-51-2

Molecular Formula

C13 H16 F3 N5 O4 S

Molecular Weight

395.358

Accurate Mass

395.088

SMILES

Nc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

InChI

InChI=1S/C13H16F3N5O4S/c14-13(15,16)1-2-26-12-19-9(17)6-10(20-12)21(4-18-6)11-8(24)7(23)5(3-22)25-11/h4-5,7-8,11,22-24H,1-3H2,(H2,17,19,20)/t5-,7-,8-,11-/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat