Sodium (2R)-3-[(~2~H_31_)hexadecanoyloxy]-2-{[(9Z)-octadec-9-enoyl]oxy}propyl hydrogen phosphate

Base Information

• Chemical Name: Sodium (2R)-3-[(~2~H_31_)hexadecanoyloxy]-2-{[(9Z)-octadec-9-enoyl]oxy}propyl hydrogen phosphate
• CAS No.: 474943-59-4
• Molecular Formula: C37H70NaO8P
• Molecular Weight: 728.1
• DSSTox Substance ID: DTXSID60677156
• Mol file: 474943-59-4.mol

Synonyms:474943-59-4;Sodium (2R)-3-[(~2~H_31_)hexadecanoyloxy]-2-{[(9Z)-octadec-9-enoyl]oxy}propyl hydrogen phosphate;16:0-18:1 PA-d31 (sodium);sodium;[(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-[(Z)-octadec-9-enoyl]oxypropyl] hydrogen phosphate;DTXSID60677156;HY-146896S;MS-31258;16:0-d31-18:1 PA, 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-phosphate (sodium salt), powder;16:0-d31-18:1 PA, 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-phosphate (sodium salt), chloroform

Chemical Property of Sodium (2R)-3-[(~2~H_31_)hexadecanoyloxy]-2-{[(9Z)-octadec-9-enoyl]oxy}propyl hydrogen phosphate

Chemical Property:

• Storage Temp.: -20°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 37
• Exact Mass: 727.66517959
• Heavy Atom Count: 47
• Complexity: 780

Purity/Quality:

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

1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphate-d31SodiumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
• Uses: 16:0-d31-18:1 PA has been used as an internal standard to quantify fatty acid methyl esters (FAMES) using electrospray ionization tandem mass spectrometry (ESI-MS/MS)-based lipidomic analysis.