2-Deoxy-2-fluorogalactose , CAS No.51146-53-3

CAS: 51146-53-3 Cat. No.: D1019279 Peso molecular: 182.15 PubChem CID: 162629

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C(C(C(C(C(C=O)F)O)O)O)O
• IUPAC Name: (2R,3S,4S,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal
• InChIKey: AOYNUTHNTBLRMT-KCDKBNATSA-N
• INCHI: 1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6-/m0/s1
• Isómeros SMILES: C([C@H]([C@@H]([C@@H]([C@H](C=O)F)O)O)O)O
• PubChem CID: 162629
• Peso molecular: 182.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Beta-hydroxy aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Beta-hydroxy aldehydes
• Alternative Parents: Secondary alcohols Fluorohydrins Polyols Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy aldehyde - Secondary alcohol - Halohydrin - Fluorohydrin - Polyol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta-hydroxy aldehydes. These are organic compounds containing an aldehyde substituted with a hydroxy group on the second carbon atom.
• 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 413° C
• Punto de fusión (°C): 131° C
• Peso molecular: 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