Analyte Name

(S)-5'-S-[4-Methoxy-4-oxo-3-[(trifluoroacetyl)amino]butyl]-5'-thioadenosine

CAS Number

100804-01-1

Molecular Formula

C17H21F3N6O6S

Molecular Weight

494.45

Accurate Mass

494.12

SMILES

O[C@H]1[C@@H](O[C@@H]([C@H]1O)CSCC[C@@H](C(OC)=O)NC(C(F)(F)F)=O)N2C3=NC=NC(N)=C3N=C2

InChI

InChI=1S/C17H21F3N6O6S/c1-31-15(29)7(25-16(30)17(18,19)20)2-3-33-4-8-10(27)11(28)14(32-8)26-6-24-9-12(21)22-5-23-13(9)26/h5-8,10-11,14,27-28H,2-4H2,1H3,(H,25,30)(H2,21,22,23)/t7-,8+,10+,11+,14+/m0/s1

IUPAC

methyl S-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)-N-(2,2,2-trifluoroacetyl)-L-homocysteinate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat