Analyte Name

Sofosbuvir (R)-phosphate methyl ester impurity-d5

Molecular Formula

C20 D5 H20 F N3 O9 P

Molecular Weight

506.43

Accurate Mass

506.163

SMILES

[2H]c1c([2H])c([2H])c(O[P@@](=O)(N[C@@H](C)C(=O)OC)OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@](C)(F)[C@@H]2O)c([2H])c1[2H]

InChI

InChI=1S/C20H25FN3O9P/c1-12(17(27)30-3)23-34(29,33-13-7-5-4-6-8-13)31-11-14-16(26)20(2,21)18(32-14)24-10-9-15(25)22-19(24)28/h4-10,12,14,16,18,26H,11H2,1-3H3,(H,23,29)(H,22,25,28)/t12-,14+,16+,18+,20+,34+/m0/s1/i4D,5D,6D,7D,8D

IUPAC

methyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2,3,4,5,6-pentadeuteriophenoxy)phosphoryl]amino]propanoate

Unlabelled CAS Number

1394157-28-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat