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CAS 352431-36-8

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Heptanoic-5,5,6,6-d4 acid (9CI)

Description:
Heptanoic-5,5,6,6-d4 acid, also known as 9CI, is a deuterated form of heptanoic acid, which is a straight-chain saturated fatty acid with a seven-carbon backbone. The "d4" designation indicates that four hydrogen atoms in the molecule have been replaced with deuterium, a stable isotope of hydrogen. This substitution alters the physical properties of the compound, such as its mass and nuclear magnetic resonance (NMR) characteristics, making it useful in various analytical applications, particularly in studies involving metabolic pathways and tracer studies. Heptanoic acid itself is a colorless liquid with a characteristic fatty odor, and it is soluble in organic solvents but only slightly soluble in water. The presence of deuterium can enhance the stability and specificity of the compound in research settings. Heptanoic-5,5,6,6-d4 acid is often utilized in biochemical research, particularly in studies involving lipid metabolism and the synthesis of deuterated compounds for NMR spectroscopy.
Formula:C7H10D4O2
InChI:InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/i2D2,3D2
InChI key:MNWFXJYAOYHMED-RRVWJQJTSA-N
SMILES:[2H]C([2H])(C)C([2H])([2H])CCCC(=O)O
Synonyms:
  • (5,5,6,6-2H4)Heptanoic acid
  • Heptanoic-5,5,6,6-D4 Acid
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