Analyte Name

Dephenoxy Hydroxy Remdesivir-D4

Molecular Formula

C15 D4 H15 N6 O8 P

Molecular Weight

446.345

Accurate Mass

446.125

SMILES

[2H]C([2H])([2H])[C@]([2H])(NP(=O)(O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c2ccc3c(N)ncnn23)C(=O)O

InChI

InChI=1S/C15H19N6O8P/c1-7(14(24)25)20-30(26,27)28-4-9-11(22)12(23)15(5-16,29-9)10-3-2-8-13(17)18-6-19-21(8)10/h2-3,6-7,9,11-12,22-23H,4H2,1H3,(H,24,25)(H2,17,18,19)(H2,20,26,27)/t7-,9+,11+,12+,15-/m0/s1/i1D3,7D

IUPAC

(2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]amino]-2,3,3,3-tetradeuteriopropanoic acid

Unlabelled CAS Number

1911579-04-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat