Triose phosphate - ≥97%, 10mg/mL solution in water , CAS No.591-57-1

CAS: 591-57-1 Cat. No.: T697696 Peso molecular: 170.06

GRADE & PURITY ≥97%, 10mg/mL solution in water

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%, 10mg/mL solution in water

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C(C(C=O)O)OP(=O)(O)O
• IUPAC Name: [(2R)-2-hydroxy-3-oxopropyl] dihydrogen phosphate
• InChIKey: LXJXRIRHZLFYRP-VKHMYHEASA-N
• INCHI: 1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
• Isómeros SMILES: C([C@H](C=O)O)OP(=O)(O)O
• Peso molecular: 170.06
• Reaxy-Rn: 1725008
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725008&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Monosaccharide phosphates
            • Level7 Glyceraldehyde-3-phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides - Monosaccharide phosphates
• Direct Parent: Glyceraldehyde-3-phosphates
• Alternative Parents: Monoalkyl phosphates Alpha-hydroxyaldehydes Secondary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glyceraldehyde-3-phosphate - Monoalkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Alpha-hydroxyaldehyde - Secondary alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aldehyde - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as glyceraldehyde-3-phosphates. These are compounds containing a glyceraldehyde substituted at position O3 by a phosphate group.
• External Descriptors: glyceraldehyde 3-phosphate

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 170.060 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 169.998 Da
• Monoisotopic Mass: 169.998 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 149.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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