Asymmetric Methylene Conjugated Emtricitabine Dimer

Analyte Name

Asymmetric Methylene Conjugated Emtricitabine Dimer

CAS Number

1962114-96-0

Molecular Formula

C17 H20 F2 N6 O6 S2

Molecular Weight

506.504

Accurate Mass

506.085

SMILES

NC1=NC(=O)N(C=C1F)[C@@H]2CS[C@H](COCNC3=NC(=O)N(C=C3F)[C@@H]4CS[C@H](CO)O4)O2

InChI

InChI=1S/C17H20F2N6O6S2/c18-8-1-24(16(27)22-14(8)20)11-6-33-13(31-11)4-29-7-21-15-9(19)2-25(17(28)23-15)10-5-32-12(3-26)30-10/h1-2,10-13,26H,3-7H2,(H2,20,22,27)(H,21,23,28)/t10-,11-,12+,13+/m0/s1

IUPAC

4-amino-5-fluoro-1-[(2R,5S)-2-[[[5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]amino]methoxymethyl]-1,3-oxathiolan-5-yl]pyrimidin-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat