4-amino-2-deoxy-2,3-didehydro-N-acetylneuraminic acid
Basic information
- CAS
130525-62-1- Standard SMILES
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1N- InChIKey
NKENBBIXEGPQLS-UFGQHTETSA-N- Molecular formula
- C11H18N2O7
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.11140092
Names & identifiers
- Preferred name
- 4-amino-2-deoxy-2,3-didehydro-N-acetylneuraminic acid
- IUPAC
- (2R,3R,4S)-3-acetamido-4-amino-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
- English name
- Zanamivir Amine
- Molecular formula
- C11H18N2O7
- Molecular weight
- 290.27
Names & synonyms
130525-62-14-AM-DANA4-Amino-neu5Ac2enDes(carbamimidoyl) zanamivirOE4L5BBV9M4-Amino-2-deoxy-2,3-didehydro-N-acetylneuraminic acidD-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-amino-2,6-anhydro-3,4,5-trideoxy-RefChem:585774(2R,3R,4S)-4-amino-3-acetamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acidZanamivir Amine4-amino-2-deoxy-2,3-dehydro-n-neuraminic acidZanamivir EP Impurity C
Show more names
Zanamivir Impurity 2Zanamivir intermediates AZanamivir intermediate DN-1Zanamivir Impurity 3(Zanamivir EP Impurity C)4-a-Amino-N-acetyl-2-deoxy-2,3-didehydro-D-neuraminate"4-α-Amino-N-acetyl-2-deoxy-2,3-didehydro-D-neuraminate"
5-(Acetylamino)-4-amino-2,6-anhydro-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic AcidCHEMBL52270(2R,3R,4S)-3-acetamido-4-amino-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid(2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid4AM4-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID(4S,5R,6R)-5-Acetylamino-4-amino-6-((1R,2R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid2qwd
Database identifiers
- CAS
130525-62-1- PubChem CID
- 445533
- ChEMBL
CHEMBL52270- UNII
- OE4L5BBV9M
- Nikkaji
- J705.294D
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 734.5 · 734.5±60.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 3.42 · 3.42±0.60(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 4 L5BBV9M · OE4L5BBV9M
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesZanamivir Amine is a synthetic precursor of Zanamivir. Relenza (zanamivir) is a medication used to treat and prevent influenza caused by influenza A and influenza B viruses.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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