2-[(12-Azaniumyldodecanoyl)amino]ethyl (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl phosphate

Base Information

• Chemical Name: 2-[(12-Azaniumyldodecanoyl)amino]ethyl (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl phosphate
• CAS No.: 474944-10-0
• Molecular Formula: C53H101N2O9P
• Molecular Weight: 941.3
• DSSTox Substance ID: DTXSID90677164
• Mol file: 474944-10-0.mol

Synonyms:474944-10-0;2-[(12-Azaniumyldodecanoyl)amino]ethyl (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl phosphate;2-(12-azaniumyldodecanoylamino)ethyl [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] phosphate;DTXSID90677164;18:1 Dodecanylamine PE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-(dodecanylamine), chloroform;18:1 Dodecanylamine PE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-(dodecanylamine), powder

Chemical Property of 2-[(12-Azaniumyldodecanoyl)amino]ethyl (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl phosphate

Chemical Property:

• XLogP3: 16.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 53
• Exact Mass: 940.72446980
• Heavy Atom Count: 65
• Complexity: 1180

Purity/Quality:

99% ^*data from raw suppliers

1,2-DI-OLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE-N-(DODECANYLAMINE) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC