3-Fluoro-3-deoxy-D-glucose - ≥97% , CAS No.14049-03-7

CAS: 14049-03-7 Cat. No.: F334376 Molecular Weight: 182.15 EC Number: 806-504-4 PubChem CID: 122305

GRADE & PURITY ≥97%

Synonyms

AKOS006273279 | 3-deoxy-3-fluoro-D-glucose | (2S,3S,4R,5R)-3-fluoro-2,4,5,6-tetrahydroxyhexanal | SCHEMBL1521463 | DTXSID00930858 | 8316U79EZ5 | 3-Deoxy-3-fluorodextrose | Q27896656 | D-Glucose, 3-deoxy-3-fluoro- | A807656 | 3-Fluoro-3-deoxyglucose | UNII

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS006273279 | 3-deoxy-3-fluoro-D-glucose | (2S, 3S, 4R, 5R)-3-fluoro-2, 4, 5, 6-tetrahydroxyhexanal | SCHEMBL1521463 | DTXSID00930858 | 8316U79EZ5 | 3-Deoxy-3-fluorodextrose | Q27896656 | D-Glucose, 3-deoxy-3-fluoro- | A807656 | 3-Fluoro-3-deoxyglucose | UNII

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187669
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187669
• Canonical Smiles: C(C(C(C(C(C=O)O)F)O)O)O
• IUPAC Name: (2S,3S,4R,5R)-3-fluoro-2,4,5,6-tetrahydroxyhexanal
• InChIKey: RMHCJIQOFXULDL-SLPGGIOYSA-N
• INCHI: 1S/C6H11FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](C=O)O)F)O)O)O
• PubChem CID: 122305
• Molecular Weight: 182.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Alpha-hydroxyaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Alpha-hydroxyaldehydes
• Alternative Parents: Secondary alcohols Fluorohydrins Polyols Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydroxyaldehyde - Secondary alcohol - Halohydrin - Fluorohydrin - Polyol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-hydroxyaldehydes. These are organic compounds containing an aldehyde substituted with a hydroxyl group on the adjacent carbon.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly), Water (Sparingly, 10mg/0.2mL)
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 115-117° C
• Molecular Weight: 182.150 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 182.059 Da
• Monoisotopic Mass: 182.059 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1