Analyte Name

1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-((((2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl)methoxy-phenoxyphosphoryl)amino)propanoate

CAS Number

1868135-06-1

Molecular Formula

C22 D6 H23 F N3 O9 P

Molecular Weight

535.49

Accurate Mass

535.2

SMILES

[2H]C([2H])([2H])C(OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(F)[C@@H]1O)Oc3ccccc3)C([2H])([2H])[2H]

InChI

InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36?/m0/s1/i1D3,2D3

IUPAC

1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Unlabelled CAS Number

1190307-88-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat