分析物名称

3-Bromo-5-(((2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl)tetrahydro-2H-pyran-2-yl)thio)pyridine 1-oxide-2,4,6-D3

分子式

C19 D3 H13 Br F3 N4 O5 S

分子量

552.337

精确质量测定

551.017

SMILES

[2H]c1c(Br)c([2H])[n+]([O-])c([2H])c1S[C@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n3cc(nn3)c4cc(F)c(F)c(F)c4

InChI

InChI=1S/C19H16BrF3N4O5S/c20-9-3-10(5-26(31)4-9)33-19-18(30)16(17(29)14(7-28)32-19)27-6-13(24-25-27)8-1-11(21)15(23)12(22)2-8/h1-6,14,16-19,28-30H,7H2/t14-,16+,17+,18-,19-/m1/s1/i3D,4D,5D

IUPAC

(2R,3R,4S,5R,6R)-2-(5-bromo-2,4,6-trideuterio-1-oxidopyridin-1-ium-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol

SIL类型

Deuterium

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat