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CAS 87745-18-4

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Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-

Description:
Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-, also known by its CAS number 87745-18-4, is a deuterated fatty acid derivative. This compound features a pentanoic acid backbone, which is a straight-chain carboxylic acid with five carbon atoms. The "5,5,5-d3" designation indicates that three deuterium atoms are incorporated at the fifth carbon position, making it a useful tracer in metabolic studies and research involving isotopic labeling. The presence of the propyl group at the second position adds complexity to its structure, influencing its physical and chemical properties. Generally, deuterated compounds like this one exhibit similar reactivity to their non-deuterated counterparts but may have altered spectroscopic characteristics due to the presence of deuterium. This compound is primarily utilized in scientific research, particularly in studies involving lipid metabolism, drug development, and as a standard in nuclear magnetic resonance (NMR) spectroscopy. Its unique isotopic composition allows for precise tracking of molecular pathways in biological systems.
Formula:C8H10D6O2
InChI:InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i1D3,2D3
InChI key:InChIKey=NIJJYAXOARWZEE-WFGJKAKNSA-N
SMILES:C(CCC([2H])([2H])[2H])(CCC([2H])([2H])[2H])C(O)=O
Synonyms:
  • 5,5,5,5′,5′,5′-Hexadeuterovalproic acid
  • Pentanoic-5,5,5-D_3_ Acid, 2-(Propyl-3,3,3-D_3_)-
  • Pentanoic-5,5,5-d<sub>3</sub> acid, 2-(propyl-3,3,3-d<sub>3</sub>)-
  • 2-[(3,3,3-~2~H_3_)Propyl](5,5,5-~2~H_3_)pentanoic acid
  • Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-
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