Analyte Name

Emtricitabine 5-O-Sulfate-13C,15N2

Molecular Formula

13C C7 H10 F 15N2 N O6 S2

Molecular Weight

330.289

Accurate Mass

329.997

SMILES

NC1=[15N][13C](=O)[15N](C=C1F)[C@@H]2CS[C@H](COS(=O)(=O)O)O2

InChI

InChI=1S/C8H10FN3O6S2/c9-4-1-12(8(13)11-7(4)10)5-3-19-6(18-5)2-17-20(14,15)16/h1,5-6H,2-3H2,(H2,10,11,13)(H,14,15,16)/t5-,6+/m0/s1/i8+1,11+1,12+1

IUPAC

[(2R,5S)-5-(4-amino-5-fluoro-2-oxo(213C,1,3-15N2)pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl hydrogen sulfate

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat