Isovalerylcarnitine

Base Information

• Chemical Name: Isovalerylcarnitine
• CAS No.: 31023-24-2
• Molecular Formula: C12H23NO4
• Molecular Weight: 245.319
• Wikidata: Q27140242
• Metabolomics Workbench ID: 75612
• Mol file: 31023-24-2.mol

Synonyms:3-methylbutyrylcarnitine;3-methylbutyrylcarnitine, (+-)-isomer;isovalerylcarnitine

Chemical Property of Isovalerylcarnitine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 66.43000
• Density: g/cm³
• LogP: -0.20950
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 245.16270821
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isovaleroylcarnitine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
• Uses: Isovaleryl-L-carnitine may be used as an analytical reference standard for the quantification of the analyte in biological samples using chromatography-based techniques.

Technology Process of Isovalerylcarnitine

There total 1 articles about Isovalerylcarnitine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-methylbutyric acid (503-74-2) + L-carnitine (541-15-1,44985-79-7) → Isovalerylcarnitine (31023-24-2)

Guidance literature:

With thionyl chloride; Multistep reaction; 2) CF₃CO₂H;

DOI:10.1021/ac00126a048

Reference yield: 100.0%

Isovalerylcarnitine (31023-24-2) + [3H]-Phytic acid → isovaleryl L-carnitine phytate

Guidance literature:

In water; at 20 ℃; pH=~ 3.5;

Reference yield: 100.0%

Isovalerylcarnitine (31023-24-2) + myo-inositol 1,2,3,4,5,6-hexakisphosphate → isovaleryl L-carnitine phytate

Guidance literature:

In water; at 20 ℃; for 0.583333h;

upstream raw materials:

3-methylbutyric acid

L-carnitine

Refernces