2-(4-Fluorophenyl-2,3,5,6-D4)-5-(2-methyl-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)thiophene 1,1-dioxide

Analyte Name

2-(4-Fluorophenyl-2,3,5,6-D4)-5-(2-methyl-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)thiophene 1,1-dioxide

Molecular Formula

C24 D4 H21 F O7 S

Molecular Weight

480.539

Accurate Mass

480.156

SMILES

[2H]c1c([2H])c(C2=CC=C(Cc3cc(ccc3C)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)S2(=O)=O)c([2H])c([2H])c1F

InChI

InChI=1S/C24H25FO7S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)32-24)10-16(13)11-18-8-9-20(33(18,30)31)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1/i4D,5D,6D,7D

IUPAC

(2S,3R,4R,5S,6R)-2-[3-[[1,1-dioxo-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat