Bis(L-Valine) Ester Ganciclovir-d16 Trifluoroacetic Acid Salt (1:2)

Analyte Name

Bis(L-Valine) Ester Ganciclovir-d16 Trifluoroacetic Acid Salt

Molecular Formula

C19H15D16N7O6 • 2(C2HF3O2)

Molecular Weight

697.64

Accurate Mass

697.31

SMILES

O=C1NC(N)=NC2=C1N=CN2COC(COC([C@@](C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])N)=O)COC([C@@](C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])N)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O

InChI

InChI=1S/C19H31N7O6.2C2HF3O2/c1-9(2)12(20)17(28)30-5-11(6-31-18(29)13(21)10(3)4)32-8-26-7-23-14-15(26)24-19(22)25-16(14)27;2*3-2(4,5)1(6)7/h7,9-13H,5-6,8,20-21H2,1-4H3,(H3,22,24,25,27);2*(H,6,7)/t12-,13-;;/m0../s1/i1D3,2D3,3D3,4D3,9D,10D,12D,13D;;

IUPAC

2-((2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)propane-1,3-diyl (2S,2'S)-bis(2-amino-3-(methyl-d3)butanoate-2,3,4,4,4-d5) di2,2,2-trifluoroacetic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat