Nazwa analitu

Pyrasulfotole-b-D-Glucoside

Wzór cząsteczkowy

C20H23F3N2O9S

Masa cząsteczkowa

524.46

Dokładna masa

524.11

SMILES

O=C(C1=C(N(C)N=C1C)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C3=CC=C(C(F)(F)F)C=C3S(=O)(C)=O

InChI

InChI=1S/C20H23F3N2O9S/c1-8-13(14(27)10-5-4-9(20(21,22)23)6-12(10)35(3,31)32)18(25(2)24-8)34-19-17(30)16(29)15(28)11(7-26)33-19/h4-6,11,15-17,19,26,28-30H,7H2,1-3H3/t11-,15-,16+,17-,19+/m1/s1

IUPAC

(1,3-Dimethyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1H-pyrazol-4-yl)(2-(methylsulfonyl)-4-(trifluoromethyl)phenyl)methanone

Kraj pochodzenia

CANADA

Postać produktu

Neat