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Molecule record

(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

C12H20N4O7

332.31 g/mol

Loading structure

Molecular properties

Formula
C12H20N4O7
Molar mass
332.31 g·mol−1
Exact mass
332.1332 Da
5
PubChem CID
60855

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene
Amide
Carboxylic acid
Ether
Primary amine
Secondary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (2R,3R,4S)-3-(acetylamino)-4-carbamimidamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
  • 139110-80-8
  • 4 Guanidino 2 Deoxy 2,3 Didehydro N Acetylneuraminic Acid
  • 4-Guanidino-2,4-dideoxy-2,3-dehydro-N-acetylneuraminic acid
  • 4-Guanidino-Neu5Ac2en
  • 4-guanidino-2,4-dideoxy-2,3-didehydro-N-acetylneuraminic acid
  • 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid
  • 5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-guanidino-D-glycero-D-galacto-non-2-enonic acid
Show all 24 synonyms
  • Acid, 4-Guanidino-2-Deoxy-2,3-Didehydro-N-Acetylneuraminic
  • CHEBI:50663
  • DTXCID503749
  • DTXSID0023749
  • GANA
  • GANA (inhibitor)
  • GG-167
  • GG167
  • GR-121167
  • GR-121167X
  • J05AH01
  • L6O3XI777I
  • RefChem:56369
  • Relenza
  • zanamivir
  • zanamivirum

Structure identifiers

Canonical SMILES
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1N=C(N)N
Isomeric SMILES
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N=C(N)N
InChI
InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
InChIKey
ARAIBEBZBOPLMB-UFGQHTETSA-N
PubChem CID
60855

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record