Remdesivir-alanine-D4-Carboxylic Acid

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Analyte Name

Remdesivir-alanine-D4-Carboxylic Acid

Molecular Formula

C21 D4 H19 N6 O8 P

Molecular Weight

552.44

Accurate Mass

522.1566

SMILES

[2H]C([2H])([2H])[C@]([2H])(N[P@](=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c2ccc3c(N)ncnn23)Oc4ccccc4)C(=O)O

InChI

InChI=1S/C21H23N6O8P/c1-12(20(30)31)26-36(32,35-13-5-3-2-4-6-13)33-9-15-17(28)18(29)21(10-22,34-15)16-8-7-14-19(23)24-11-25-27(14)16/h2-8,11-12,15,17-18,28-29H,9H2,1H3,(H,26,32)(H,30,31)(H2,23,24,25)/t12-,15+,17+,18+,21-,36-/m0/s1/i1D3,12D

IUPAC

(2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]-2,3,3,3-tetradeuterio-propanoic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat