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Tetraethyl-1,1,3,3-propanetetra-carboxylate-[13C6]

General Information
Catalog: BLP-006524
Molecular Formula: C9[13C]6H24O8
Molecular Weight: 338.30
Chemical Structure
Tetraethyl-1,1,3,3-propanetetra-carboxylate-[13C6]
Synonyms [13C6]-Tetraethyl-1,1,3,3-propanetetra-carboxylate; 2,4-Bis-ethoxycarbonyl-pentanedioic acid diethyl ester-13C6; propane-1,1,3,3-tetracarboxylic acid tetraethyl ester-13C6; diethyl 2,4-bis(ethoxycarbonyl)pentane-1,5-dioate-13C6; 1,1,3,3-Propanetetracarboxylic acid tetraethyl ester-13C6
IUPAC Name tetraethyl propane-1,1,3,3-tetracarboxylate-1,3-13C2-1,1,3,3-13C4
Related CAS 2121-66-6 (unlabelled)
Canonical SMILES CCOC(=O)C(CC(C(=O)OCC)C(=O)OCC)C(=O)OCC
InChI InChI=1S/C15H24O8/c1-5-20-12(16)10(13(17)21-6-2)9-11(14(18)22-7-3)15(19)23-8-4/h10-11H,5-9H2,1-4H3/i10+1,11+1,12+1,13+1,14+1,15+1
InChI Key KSXISDYTRDNZLB-RWFIAFQRSA-N
Purity ≥98%; ≥99% atom 13C

Tetraethyl-1,1,3,3-propanetetra-carboxylate-[13C6] is a carbon-labeled compound used in various applications across bioscience and chemistry fields. Here are some key applications of this compound:

Stable Isotope Labeling: Tetraethyl-1,1,3,3-propanetetra-carboxylate-[13C6] plays a significant role in stable isotope labeling experiments. It is used to introduce six carbon-13 isotopes into target molecules, allowing researchers to track metabolic pathways and quantify fluxes. This technique enhances the understanding of metabolic processes and biochemical networks in research.

Nuclear Magnetic Resonance (NMR) Spectroscopy: In NMR studies, Tetraethyl-1,1,3,3-propanetetra-carboxylate-[13C6] is utilized to understand molecular structures and interactions. The carbon-13 enrichment enhances NMR signals, providing detailed insights into how molecules interact at the atomic level. This application is vital for elucidating structural biology questions and drug discovery efforts.

Pharmacokinetics: The compound is used in pharmacokinetic studies to trace drug metabolism and distribution within organisms. By labeling compounds with carbon-13, researchers can accurately monitor how drugs are absorbed, distributed, metabolized, and excreted. This information is crucial for developing safer and more effective pharmacological treatments.

Environmental Tracer Studies: Tetraethyl-1,1,3,3-propanetetra-carboxylate-[13C6] is applied in environmental science to trace carbon flow through ecosystems. By labeling components of interest, scientists can study carbon cycling and assess ecological impacts. This helps in understanding biogeochemical processes and managing environmental changes effectively.

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