Basic information
- CAS
16655-75-7- Standard SMILES
CC(=O)N[C@@H]1[C@@H](OC(C)=O)C[C@@](O)(C(=O)O)O[C@H]1C(O)C(O)CO- InChIKey
LVBIMVQYUKOENY-FODKYPIKSA-N- Molecular formula
- C13H21NO10
- Average molar mass
- 351.31 g/mol
- Monoisotopic mass
- 351.11654587
Names & identifiers
- Preferred name
- GlyTouCan:G02250LI
- IUPAC
- (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
- English name
- (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- Molecular formula
- C13H21NO10
- Molecular weight
- 351.31
Names & synonyms
RefChem:666675GlyTouCan:G02250LIG02250LI(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid4-O-Acetyl-N-acetylneuraminateSCHEMBL293968354-acetate 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-Nonulosonate4-acetate 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-Nonulosonate4-acetate 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-Nonulosonic acid4-acetate 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-Nonulosonic acid(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic4-O-acetyl-N-acetylneuraminic acid
Show more names
N-Acetyl-4-O-acetylneuraminic acidNeuraminic acid, N-acetyl-, 4-acetate(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 700.5 · 700.5±60.0 °C(Predicted)
- Density
- 1.487 · 1.487±0.06 g/cm3(Predicted)
- pka
- 2.35 · 2.35±0.54(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses4-O-Acetyl-N-acetylneuraminic Acid was used to study the inhibition of influenza virus infection in guinea pigs. However, it does not appear to be a potent inhibitor since it is resistant to cleavage by viral sialidase, it may serve to protect the inhibitor from inactivation.
Suppliers2 total
上海凯森斯生物科技有限公司18616988519 · [email protected]
BOC Sciences[email protected]
Additional notes
DefinitionChEBI: N-acetyl-4-O-acetylneuraminic acid is a N-acetyl-O-acetylneuraminic acid. It is a conjugate acid of a N-acetyl-4-O-acetylneuraminate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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