N-Acetylneuraminic acid; α-Pyranose-form, 8-Me ether 

AlkaPlorer ID: AK283077

Synonym: None

IUPAC Name: 5-acetamido-6-(1,3-dihydroxy-2-methoxypropyl)-2,4-dihydroxyoxane-2-carboxylic acid

Structure

SMILES: COC(CO)C(O)C1OC(O)(C(=O)O)CC(O)C1NC(C)=O

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InChI: InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(18)19)22-10(8)9(17)7(4-14)21-2/h6-10,14,16-17,20H,3-4H2,1-2H3,(H,13,15)(H,18,19)

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InChIKey: ZVAHXTZYENOSAX-UHFFFAOYSA-N

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Reference

PubChem CID: 14160879

CAS: 41341-17-7

Properties Information

Molecule Weight: 323.298

TPSA: 165.78

MolLogP: -3.217699999999996

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information