2’-Defluro-2’-hydroxy 2’-epi-Sofosbuvir-13Cd3

Analyte Name

2'-Defluro-2'-hydroxy 2'-epi-Sofosbuvir-13Cd3

Molecular Formula

13C C21 D3 H27 N3 O10 P

Molecular Weight

531.473

Accurate Mass

531.189

SMILES

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

InChI

InChI=1S/C22H30N3O10P/c1-13(2)33-19(28)14(3)24-36(31,35-15-8-6-5-7-9-15)32-12-16-18(27)22(4,30)20(34-16)25-11-10-17(26)23-21(25)29/h5-11,13-14,16,18,20,27,30H,12H2,1-4H3,(H,24,31)(H,23,26,29)/t14-,16+,18+,20+,22-,36-/m0/s1/i4+1D3

IUPAC

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

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat