4-Trifluoromethylumbelliferyl Alpha-D-N-Acetylneuraminate Methyl Ester

Analyte Name

4-Trifluoromethylumbelliferyl alpha-D-N-Acetylneuraminate Methyl Ester

Molecular Formula

C22H24F3NO11

Molecular Weight

535.42

Accurate Mass

535.13

SMILES

OC[C@@H](O)[C@@H](O)[C@H]1[C@H](NC(C)=O)[C@@H](O)C[C@](OC2=CC=C(C(C(F)(F)F)=CC(O3)=O)C3=C2)(C(OC)=O)O1

InChI

InChI=1S/C22H24F3NO11/c1-9(28)26-17-13(29)7-21(20(33)34-2,37-19(17)18(32)14(30)8-27)36-10-3-4-11-12(22(23,24)25)6-16(31)35-15(11)5-10/h3-6,13-14,17-19,27,29-30,32H,7-8H2,1-2H3,(H,26,28)/t13-,14+,17+,18+,19+,21+/m0/s1

IUPAC

methyl (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-((2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl)oxy)-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat