N-Acetyl-9-O-acetylneuraminate

Molecular Formula: C₁₃H₂₁NO₁₀

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

InChIKey: InChIKey=NYWZBRWKDRMPAS-CWGNLWGDDQ
SMILES: CC(=O)NC1C(CC(OC1C(C(COC(=O)C)O)O)(C(=O)O)O)O

Names:
    C04017
    N-Acetyl-9-O-acetylneuraminate
    (2S,4S,5R,6R)-5-acetamido-6-(3-acetyloxy-1,2-dihydroxy-propyl)-2,4-dihydroxy-oxane-2-carboxylic acid

Registries:
    PubChem CID 440199
    PubChem ID 6723