Analyte Name

2-O-Methyl-beta-D-N-acetylneuraminic Acid, Methyl Ester-13CD3

Molecular Formula

13C C12 D3 H20 N O9

Molecular Weight

341.334

Accurate Mass

341.159

SMILES

[2H]C([2H])([2H])[13C](=O)N[C@@H]1[C@@H](O)C[C@](OC)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)OC

InChI

InChI=1S/C13H23NO9/c1-6(16)14-9-7(17)4-13(22-3,12(20)21-2)23-11(9)10(19)8(18)5-15/h7-11,15,17-19H,4-5H2,1-3H3,(H,14,16)/t7-,8+,9+,10+,11+,13-/m0/s1/i1D3,6+1

IUPAC

methyl (2S,4S,5R,6R)-4-hydroxy-2-methoxy-5-[(2,2,2-trideuterioacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

Unlabelled CAS Number

6730-43-4

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat