Des-O-Phosphono T-705RMP-13C5 Diacetate

Analyte Name

rac-(2R,3R,4R)-2-(3-Carbamoyl-5-fluoro-2-oxopyrazin-1(2H)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diyl-13C5 Diacetate

Molecular Formula

13C5 C9 H16 F N3 O8

Molecular Weight

378.254

Accurate Mass

378.109

SMILES

CC(=O)O[13C@@H]1[13C@@H]([13CH2]O)O[13C@H]([13C@@H]1OC(=O)C)N2C=C(F)N=C(C(=O)N)C2=O

InChI

InChI=1S/C14H16FN3O8/c1-5(20)24-10-7(4-19)26-14(11(10)25-6(2)21)18-3-8(15)17-9(12(16)22)13(18)23/h3,7,10-11,14,19H,4H2,1-2H3,(H2,16,22)/t7-,10-,11-,14-/m1/s1/i4+1,7+1,10+1,11+1,14+1

IUPAC

[(2R,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)-2-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-3-yl] acetate

Alternate CAS Number

356783-05-6

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat