(2R)-3-[(~2~H_31_)Hexadecanoyloxy]-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate

Base Information

• Chemical Name: (2R)-3-[(~2~H_31_)Hexadecanoyloxy]-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
• CAS No.: 179093-76-6
• Molecular Formula: C42H82NO8P
• Molecular Weight: 791.3
• DSSTox Substance ID: DTXSID10677040
• Mol file: 179093-76-6.mol

Synonyms:179093-76-6;(2R)-3-[(~2~H_31_)Hexadecanoyloxy]-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate;1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31;[(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] 2-(trimethylazaniumyl)ethyl phosphate;DTXSID10677040;HY-130462S;MS-31455;16:0-d31-18:1 PC, 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-phosphocholine, chloroform;16:0-d31-18:1 PC, 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-phosphocholine, powder

Chemical Property of (2R)-3-[(~2~H_31_)Hexadecanoyloxy]-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate

Chemical Property:

• XLogP3: 13.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 41
• Exact Mass: 790.77238470
• Heavy Atom Count: 52
• Complexity: 899

Purity/Quality:

99% ^*data from raw suppliers

1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine-d31 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
• 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-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
• Uses: 1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine-d31, is a labeled analogue of 1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine (P161000), a glycerophospholipid act as regulators of various enzyme activities, and can be used as biological markers to indicate pathological states.