Palmitic acid-16,16,16-d3

Base Information

• Chemical Name: Palmitic acid-16,16,16-d3
• CAS No.: 75736-53-7
• Molecular Formula: CH3(CH2)2CD2(CH2)11COOH
• Molecular Weight: 259.405
• European Community (EC) Number: 693-702-7
• DSSTox Substance ID: DTXSID10493909
• Mol file: 75736-53-7.mol

Synonyms:75736-53-7;Palmitic acid-16,16,16-d3;Palmitic Acid-d3;hexadecanoic-16,16,16-d3 acid;Palmitic acid(d3);16,16,16-trideuteriohexadecanoic acid;Hexadecanoic acid-16,16,16-d3;Hexadecanoic acid(d3);SCHEMBL1332261;DTXSID10493909;CHEBI:168544;Hexadecanoic-16,16,16-d3acid;HY-N0830S5;FA 16:0-d3;LMFA01010046;(16,16,16-?H?)hexadecanoic acid;BP-29911;MS-23657;(16,16,16-~2~H_3_)Hexadecanoic acid;CS-0226371;D98483;Palmitic acid-16,16,16-d3, >=99 atom % D, >=99% (CP)

Chemical Property of Palmitic acid-16,16,16-d3

Chemical Property:

• Melting Point: 61-64°C
• PSA: 37.30000
• LogP: 5.55230
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 259.259060497
• Heavy Atom Count: 18
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

PalmiticAcid-d3 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)O
• Isomeric SMILES: [2H]C([2H])([2H])CCCCCCCCCCCCCCC(=O)O
• Uses: Palmitic Acid-d3 is the isotope labelled analog of Palmitic Acid (P144500); a common fatty acid found in plants and animals. The body converts excess carbohydrates into Palmitic Acid, thus Palmitic Acid is the first fatty acid produced during fatty acid synthesis as well as a precursor for longer fatty acids.

Technology Process of Palmitic acid-16,16,16-d3

There total 2 articles about Palmitic acid-16,16,16-d3 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:

C24H47(2)H3NO7P → palmitic acid-16,16,16-d3 (75736-53-7) + glycerolcholine phosphate (34688-34-1,563-24-6)

Guidance literature:

With recombinant clysophospholipase A₂; BSA; Reagent/catalyst;

DOI:10.1194/jlr.M087890

Reference yield:

β-lactoglobulin palmitic acid-16,16,16-d3 1:1 complex → palmitic acid-16,16,16-d3 (75736-53-7) + β-lactoglobulin

Guidance literature:

In methanol; at 25 ℃; pH=8; Temperature; Time; Kinetics; aq. buffer;

DOI:10.1021/ja300092w

Reference yield: 87.0%

palmitic acid-16,16,16-d3 (75736-53-7) + 3-O-[(2,3,4,6-tetra-O-benzyl-β-D-glucopyranosyl)-(1u202f→u202f6')-(2',3',4'-tri-O-benzyl-β-D-galactopyranosyl)]-sn-glycerol → 3-O-[(2,3,4,6-tetra-O-benzyl-β-D-glucopyranosyl)-(1u202f→u202f6')-(2',3',4'-tri-O-benzyl-β-D-galactopyranosyl)]-1,2-di-O-palmitoyl-16,16,16-d3-sn-glycerol

Guidance literature:

palmitic acid-16,16,16-d₃; With 2,4,6-trichlorobenzoyl chloride; triethylamine; In dichloromethane; at 20 ℃; for 2h;

3-O-[(2",3",4",6"-tetra-O-benzyl-β-D-glucopyranosyl)-(1"?→?6')-(2',3',4'-tri-O-benzyl-β-D-galactopyranosyl)]-sn-glycerol; With dmap; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1016/j.bmc.2017.12.046

Downstream raw materials:

[16,16,16-2H₃]-hexadecanol

Refernces

• 1、 Liu, Lan,Michelsen, Klaus,Kitova, Elena N.,Schnier, Paul D.,Brown, Alex,Klassen, John S.. "Deuterium kinetic isotope effects on the dissociation of a protein-fatty acid complex in the gas phase". scheme or table. p. 5931 - 5937. Retrieved 2012/05/07.