Cas no 51795-26-7 (1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel-)

1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel- structure
51795-26-7 structure
Product Name:1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel-
CAS No:51795-26-7
MF:C6H12O6
MW:180.155882835388
CID:366463
PubChem ID:251615
Update Time:2025-07-19

1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel-
    • 1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2a,3b,5b,6a)-
    • DL-Glyceraldehyde dimer
    • 1,4-Dioxane-2,5-dimethanol, 3,6-dihydroxy-
    • DL-Glyceraldehyde (Dimer), 95.0%+
    • G-4114
    • 51795-26-7
    • SCHEMBL836734
    • 3, 6-bis(hydroxymethyl)-1, 4-dioxane-2, 5-diol
    • DTXSID20945823
    • 3,6-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
    • 23147-59-3
    • AKOS006227859
    • Dihydroxyacetonedimer
    • 2,5-dihydroxy-3,6-dihydroxymethyl-1,4-dioxane
    • NSC-72202
    • FT-0606667
    • DL-Glyceraldehyde (Dimer)
    • AS-65650
    • NSC72202
    • Inchi: 1S/C6H12O6/c7-1-3-5(9)12-4(2-8)6(10)11-3/h3-10H,1-2H2
    • InChI Key: HQAMJDIBKAKYMU-UHFFFAOYSA-N
    • SMILES: O1C(C(CO)OC(C1CO)O)O

Computed Properties

  • Exact Mass: 180.06300
  • Monoisotopic Mass: 180.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 124
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 99.4A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -1.5

Experimental Properties

  • Color/Form: solid
  • Density: 1.505
  • Melting Point: 144-145?°C(lit.)
  • Boiling Point: 469.3°Cat760mmHg
  • Flash Point: 237.6°C
  • Refractive Index: 1.535
  • PSA: 99.38000
  • LogP: -2.60820
  • Solubility: Not available

1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel- Security Information

  • WGK Germany:3
  • FLUKA BRAND F CODES:10-23

1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel- Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel- Pricemore >>

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Additional information on 1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel-

Comprehensive Overview of 1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel- (CAS No. 51795-26-7)

The compound 1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel- (CAS No. 51795-26-7) is a structurally unique and versatile chemical entity with significant applications in organic synthesis, pharmaceutical research, and material science. Its complex nomenclature reflects its intricate molecular architecture, featuring a 1,4-dioxane core substituted with hydroxyl and hydroxymethyl groups at specific stereocenters. This configuration endows the molecule with distinct physicochemical properties, making it a valuable intermediate in the development of advanced materials and bioactive compounds.

In recent years, the demand for chiral building blocks like 1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel- has surged, driven by the growing emphasis on enantioselective synthesis in drug discovery. Researchers are particularly interested in its potential as a precursor for biodegradable polymers and green chemistry applications, aligning with global sustainability trends. The compound's ability to form hydrogen-bonded networks also makes it a candidate for designing supramolecular assemblies, a hot topic in nanotechnology.

From a synthetic perspective, the stereochemistry of (2R,3S,5S,6R)-rel- configuration is critical for its reactivity and interaction with biological targets. Studies have explored its use in asymmetric catalysis and as a scaffold for glycomimetics, addressing challenges in carbohydrate-based therapeutics. Its polyhydroxylated structure mimics natural sugars, enabling applications in glycobiology and drug delivery systems—areas frequently searched in academic and industrial databases.

Analytical characterization of CAS No. 51795-26-7 typically involves techniques like NMR spectroscopy, mass spectrometry, and X-ray crystallography to confirm its purity and stereochemical integrity. These methods are essential for ensuring reproducibility in research, a recurring concern among scientists. Additionally, computational modeling has been employed to predict its behavior in enzyme-binding pockets, leveraging AI-driven tools—a convergence point for modern chemistry and machine learning enthusiasts.

Environmental and safety profiles of 1,4-Dioxane-2,5-dimethanol derivatives are also under scrutiny, reflecting broader societal interest in eco-friendly chemicals. While the compound itself is not classified as hazardous, its derivatives' biodegradability and toxicity are active research areas, often queried in regulatory and academic circles. This aligns with the circular economy paradigm, where lifecycle analysis of chemicals is paramount.

In summary, 1,4-Dioxane-2,5-dimethanol,3,6-dihydroxy-, (2R,3S,5S,6R)-rel- represents a multifaceted tool for innovation across disciplines. Its synergy with cutting-edge fields like nanomedicine and sustainable materials ensures its relevance in both current literature and future technological advancements.

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