Cas no 347841-37-6 (Sodium Hexadecanoate-16,16,16-d3)

Sodium Hexadecanoate-16,16,16-d3 is a deuterated fatty acid salt with high purity. It serves as a versatile research tool in organic chemistry due to its isotopic labeling, enabling precise mass spectrometry analysis. This compound is ideal for studying reaction mechanisms and metabolic pathways. Its isotopic enrichment facilitates the differentiation from natural isotopes, enhancing the accuracy of analytical techniques.
Sodium Hexadecanoate-16,16,16-d3 structure
347841-37-6 structure
Product Name:Sodium Hexadecanoate-16,16,16-d3
CAS No:347841-37-6
MF:C16H31NaO2
MW:281.424401521683
CID:302691
PubChem ID:90472134
Update Time:2025-07-14

Sodium Hexadecanoate-16,16,16-d3 Chemical and Physical Properties

Names and Identifiers

    • Hexadecanoic-14,14,14-d3acid, sodium salt (9CI)
    • SODIUM HEXADECANOATE-16,16,16-D3
    • SodiuM Hexadecanoate-d3
    • Palmitic acid-d3 (sodium)
    • sodium;16,16,16-trideuteriohexadecanoate
    • 347841-37-6
    • D98720
    • CS-0437981
    • HY-N0830BS2
    • Sodium Hexadecanoate-16,16,16-d3
    • Inchi: 1S/C16H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1/i1D3;
    • InChI Key: GGXKEBACDBNFAF-NIIDSAIPSA-M
    • SMILES: [Na+].[O-]C(CCCCCCCCCCCCCCC([2H])([2H])[2H])=O

Computed Properties

  • Exact Mass: 281.24100
  • Monoisotopic Mass: 281.24100475g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 14
  • Complexity: 184
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.1?2

Experimental Properties

  • PSA: 40.13000
  • LogP: 4.21760

Sodium Hexadecanoate-16,16,16-d3 Pricemore >>

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Additional information on Sodium Hexadecanoate-16,16,16-d3

Sodium Hexadecanoate-16,16,16-d3 (CAS No. 347841-37-6): A Comprehensive Overview

Sodium Hexadecanoate-16,16,16-d3 (CAS No. 347841-37-6) is a deuterated derivative of sodium hexadecanoate, a compound that has gained significant attention in various scientific and pharmaceutical applications. This compound is particularly valuable in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry due to its deuterium labeling, which enhances the resolution and accuracy of analytical techniques.

Sodium Hexadecanoate-16,16,16-d3 is a sodium salt of a deuterated fatty acid, specifically hexadecanoic acid (palmitic acid) with three deuterium atoms at the 16th carbon position. The presence of deuterium atoms significantly alters the physical and chemical properties of the molecule, making it an essential tool in various research fields. Deuterated compounds are widely used in NMR spectroscopy because deuterium has a different nuclear spin than hydrogen, which allows for better differentiation and analysis of complex mixtures.

In recent years, Sodium Hexadecanoate-16,16,16-d3 has been extensively studied for its potential applications in lipidomics and metabolomics. Lipidomics involves the comprehensive analysis of lipids within biological systems, while metabolomics focuses on the identification and quantification of small molecules (metabolites) involved in cellular processes. The deuterium labeling in Sodium Hexadecanoate-16,16,16-d3 provides a stable isotope marker that can be used to trace metabolic pathways and lipid dynamics in living organisms.

One of the key areas where Sodium Hexadecanoate-16,16,16-d3 has shown promise is in the study of fatty acid metabolism. Fatty acids play crucial roles in energy storage and signaling pathways within cells. By using deuterated fatty acids like Sodium Hexadecanoate-16,16,16-d3, researchers can track the incorporation and metabolism of these compounds in various biological systems. This information is vital for understanding metabolic disorders such as obesity and diabetes.

Additionally, Sodium Hexadecanoate-16,16,16-d3 has been utilized in drug development and pharmacokinetic studies. Deuterium labeling can provide insights into the absorption, distribution, metabolism, and excretion (ADME) properties of drugs. This information is crucial for optimizing drug formulations and dosing regimens. For example, studies have shown that deuterated compounds can exhibit altered pharmacokinetic profiles compared to their non-deuterated counterparts, which can lead to improved drug efficacy and reduced side effects.

In the context of pharmaceutical research, Sodium Hexadecanoate-16,16,16-d3 has been used as a reference standard for validating analytical methods. The high purity and well-defined isotopic composition of this compound make it an ideal choice for calibrating instruments and ensuring the accuracy of analytical results. This is particularly important in clinical settings where precise measurements are essential for diagnosing diseases and monitoring treatment responses.

The use of deuterated compounds like Sodium Hexadecanoate-16,16,16-d3 also extends to environmental research. In environmental monitoring studies, deuterium-labeled compounds can be used to trace the fate and transport of pollutants in ecosystems. This information is crucial for assessing environmental impacts and developing strategies for pollution control.

In conclusion, Sodium Hexadecanoate-16,16,16-d3 (CAS No. 347841-37-6) is a versatile compound with a wide range of applications in scientific research and pharmaceutical development. Its unique properties make it an invaluable tool for advancing our understanding of biological systems and developing new therapeutic strategies. As research continues to evolve, the importance of deuterated compounds like Sodium Hexadecanoate-16,16,16-d3 is likely to grow even further.

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