2-Hexulose, 6-(dihydrogen phosphate) , CAS No.1174374-30-1

CAS: 1174374-30-1 Cat. No.: H1038133 Peso molecular: 260.140

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O
• IUPAC Name: (2,3,4,6-tetrahydroxy-5-oxohexyl) dihydrogen phosphate
• InChIKey: GSXOAOHZAIYLCY-UHFFFAOYSA-N
• INCHI: 1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)
• Peso molecular: 260.140

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses
            • Level7 Hexose phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides - Hexoses
• Direct Parent: Hexose phosphates
• Alternative Parents: Monosaccharide phosphates Monoalkyl phosphates Beta-hydroxy ketones Acyloins Alpha-hydroxy ketones Secondary alcohols Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexose phosphate - Monosaccharide phosphate - Monoalkyl phosphate - Acyloin - Beta-hydroxy ketone - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Alpha-hydroxy ketone - Ketone - Secondary alcohol - Polyol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.
• 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

• Peso molecular: 260.140 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 260.03 Da
• Monoisotopic Mass: 260.03 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1