3-(Ethoxycarbonyl)-1-(2,3,5-tri-O-acetyl-Beta-D-ribofuranosyl)-pyridinium-d4 Triflate

Analyte Name

3-(Ethoxycarbonyl)-1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-pyridinium-d4 Triflate

Molecular Formula

C20H20D4F3NO12S

Molecular Weight

563.49

Accurate Mass

563.12

SMILES

FC(F)(S(=O)([O-])=O)F.O=C(OCC)C1=C([2H])C([2H])=C([2H])[N+]([C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)=C1[2H]

InChI

InChI=1S/C19H24NO9.CHF3O3S/c1-5-25-19(24)14-7-6-8-20(9-14)18-17(28-13(4)23)16(27-12(3)22)15(29-18)10-26-11(2)21;2-1(3,4)8(5,6)7/h6-9,15-18H,5,10H2,1-4H3;(H,5,6,7)/q+1;/p-1/t15-,16-,17-,18-;/m1./s1/i6D,7D,8D,9D;

IUPAC

1-((2R,3R,4R,5R)-3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl)-3-(ethoxycarbonyl)pyridin-1-ium-2,4,5,6-d4trifluoromethanesulfonate

Unlabelled CAS Number

936945-09-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat