1,3-Dihydroxypropan-2-one dimer (DHAD) - ≥97% , CAS No.26776-70-5

CAS: 26776-70-5 Cat. No.: D1524642 Fórmula: C₆H₁₂O₆ Peso molecular: 180.16 Beilstein Registry Number: 112910 Número EC: 693-027-8

GRADE & PURITY ≥97%

Synonyms

rel-(2R,5S)-2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol | trans-2,5-Bis(hydroxymethyl)-1,4-dioxane-2,5-diol

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

1,3-Dihydroxyacetone dimer (DHAD) is formed by the condensation reaction of two DHA molecules. It appears as white crystalline powder with a sweet taste, and is easily soluble in water, ethanol, acetone and other organic solvents. DHAD remains relatively stable at pH 6.0, yet it can be converted into monomeric DHA upon dissolution or heating.

Specifications

Sinónimos

rel-(2R,5S)-2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol | trans-2,5-Bis(hydroxymethyl)-1,4-dioxane-2,5-diol

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1C(OCC(O1)(CO)O)(CO)O
• IUPAC Name: 2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
• InChIKey: KEQUNHIAUQQPAC-UHFFFAOYSA-N
• INCHI: 1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2
• Isómeros SMILES: C1C(OCC(O1)(CO)O)(CO)O
• WGK Alemania: 3
• CAS alternativo: 96-26-4；26776-70-5;96-26-4
• Peso molecular: 180.16
• Beilstein: 112910
• Reaxy-Rn: 112910

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Hemiacetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-dioxane - Hemiacetal - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• 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

• Sensibilidad: Moisture sensitive；air sensitive
• Punto de ebullición (°C): 232.96 °C at 760 mmHg
• Punto de fusión (°C): 75-80°C
• Peso molecular: 180.160 g/mol
• XLogP3: -3.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 180.063 Da
• Monoisotopic Mass: 180.063 Da
• Topological Polar Surface Area: 99.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 144.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1