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

Base Information

• Chemical Name: Sodium 2,3-dihydroxypropyl (2R)-3-[(~2~H_31_)hexadecanoyloxy]-2-{[(9Z)-octadec-9-enoyl]oxy}propyl phosphate
• CAS No.: 327178-87-0
• Molecular Formula: C40H76NaO10P
• Molecular Weight: 802.2
• DSSTox Substance ID: DTXSID00677039
• Mol file: 327178-87-0.mol

Synonyms:327178-87-0;Sodium 2,3-dihydroxypropyl (2R)-3-[(~2~H_31_)hexadecanoyloxy]-2-{[(9Z)-octadec-9-enoyl]oxy}propyl phosphate;16:0-18:1 PG-d31;sodium;2,3-dihydroxypropyl [(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] phosphate;DTXSID00677039;HY-146877S;MS-31481;16:0-d31-18:1 PG, 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-[phospho-rac-(1-glycerol)] (sodium salt), chloroform;16:0-d31-18:1 PG, 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-[phospho-rac-(1-glycerol)] (sodium salt), powder

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

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 41
• Exact Mass: 801.70195902
• Heavy Atom Count: 52
• Complexity: 875

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)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-])OCC(CO)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
• Uses: 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1''-rac-glycerol)-d31Sodium Salt, is a labelled analogue of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1''-rac-glycerol) Sodium Salt (P160980), a useful for various surfactant applications

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