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

CAS: 26776-70-5 Cat. No.: D1524642 分子式: C₆H₁₂O₆ 分子量: 180.16 Beilstein Registry Number: 112910 EC番号: 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

概要

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

同義語

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

仕様と純度

≥97%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

カノニカル・スマイル

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

異性体SMILES

C1C(OCC(O1)(CO)O)(CO)O

WGKドイツ

3

代替CAS番号

96-26-4；26776-70-5;96-26-4

分子量

180.16

Beilstein

112910

Reaxy-Rn

112910

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive；air sensitive
• 沸点（°C）: 232.96 °C at 760 mmHg
• 融点（°C）: 75-80°C
• 分子量: 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