1,3-Dihydroxyacetone dimer (DHAD) - ≥95% , CAS No.26776-70-5

CAS: 26776-70-5 Cat. No.: D769581 Molecular Weight: 180.16 Beilstein Registry Number: 112910 EC Number: 693-027-8

GRADE & PURITY ≥95%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

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.

Applications:

Model compound: DHAD is used as a model compound to study the structure and functions of carbohydrates.

Precursor: DHAD can serve as a precursor for the synthesis of various compounds, such as nitrate esters and phosphorus-doped carbon quantum dots.

Biomaterials: DHAD can be applied as biomaterials or organic compounds in life science research.

Other applications: It also has potential application prospects in cosmetics, food, pharmaceutical and other fields.

Specifications

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1C(OCC(O1)(CO)O)(CO)O
• WGK Germany: 3
• Alternate CAS: 96-26-4；26776-70-5;96-26-4
• Molecular Weight: 180.16
• Beilstein: 112910
• Reaxy-Rn: 112910

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive;heat sensitive
• Boil Point(°C): 232.96 °C at 760 mmHg
• Melt Point(°C): 75-80°C
• Molecular Weight: 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