Analyte Name

Propan-2-yl (2S)-2-((((2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-(trideuterio(113C)methyl)oxolan-2-yl)methoxy-phenoxyphosphoryl)amino)propanoate

Molecular Formula

13C C21 D3 H26 F N3 O9 P

Molecular Weight

533.464

Accurate Mass

533.185

SMILES

[2H][13C]([2H])([2H])[C@@]1(F)[C@H](O)[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1N3C=CC(=O)NC3=O

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/i4+1D3

IUPAC

propan-2-yl (2S)-2-[[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-(trideuterio(113C)methyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Unlabelled CAS Number

1190307-88-0

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat