2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose
Basic information
- CAS
129785-44-0- Standard SMILES
CC(=O)N[C@H]1[C@@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](F)[C@@H]1OC(C)=O- InChIKey
AUCRVLBGFFSCPW-POQQGIQPSA-N- Molecular formula
- C14H20FNO8
- Average molar mass
- 349.31 g/mol
- Monoisotopic mass
- 349.11729476
Names & identifiers
- Preferred name
- 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose
- IUPAC
- [(2R,3S,4R,5R,6R)-5-acetamido-4,6-diacetyloxy-3-fluorooxan-2-yl]methyl acetate
- English name
- 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose
- Molecular formula
- C14H20FNO8
- Molecular weight
- 349.31
Names & synonyms
129785-44-04-F-Glcnac2-Acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose2-Acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoro-alpha-D-glucopyranoseRefChem:849232-(Acetylamino)-2,4-dideoxy-4-fluoro-alpha-D-glucopyranose 1,3,6-triacetatealpha-D-Glucopyranose, 2-(acetylamino)-2,4-dideoxy-4-fluoro-, 1,3,6-triacetate[(2R,3S,4R,5R,6R)-5-acetamido-4,6-diacetyloxy-3-fluorooxan-2-yl]methyl acetateSCHEMBL29586206DTXSID20926495|A-d-glucopyranose, 2-(acetylamino)-2,4-dideoxy-4-fluoro-, 1,3,6-triacetate1,3,6-Tri-O-acetyl-2,4-dideoxy-4-fluoro-2-[(1-hydroxyethylidene)amino]hexopyranose
Show more names
α-D-Glucopyranose, 2-(acetylamino)-2,4-dideoxy-4-fluoro-, 1,3,6-triacetate[(2R,3R,4R,5S,6R)-3-Acetamido-2-Acetyloxy-6-(Acetyloxymethyl)-5-Fluorooxan-4-Yl] Acetate
1,3,6-Tri-O-acetyl-2,4-dideoxy-4-fluoro-2-[(1-hydroxyethylidene)amino]-alpha-D-glucopyranose
Database identifiers
- CAS
129785-44-0- PubChem CID
- 164285
- DTXSID
DTXSID20926495- Nikkaji
- J1.355.153G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Melting point
- 155 · 155-158 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
- Boiling point
- 489 · 489.0±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 13.2 · 13.20±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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