N-Acetyl-7-O-acetylneuraminate

Molecular Formula: C₁₃H₂₁NO₁₀

InChI: InChI=1/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(8(19)4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8?,9+,10?,11+,13-/m0/s1/f/h14,20H

InChIKey: InChIKey=DUOKWMWKFGDUDQ-CWGNLWGDDR
SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)OC(=O)C)(C(=O)O)O)O

Names:
    C04016
    N-Acetyl-7-O-acetylneuraminate
    (2S,4S,5R,6R)-5-acetamido-6-(1-acetyloxy-2,3-dihydroxy-propyl)-2,4-dihydroxy-oxane-2-carboxylic acid

Registries:
    PubChem CID 440198
    PubChem ID 6722