1,2-Diundecanoylphosphatidylethanolamine

Base Information

• Chemical Name: 1,2-Diundecanoylphosphatidylethanolamine
• CAS No.: 117610-63-6
• Molecular Formula: C27H54 N O8 P
• Molecular Weight: 551.693321
• DSSTox Substance ID: DTXSID90151838
• Wikidata: Q83018383
• Metabolomics Workbench ID: 91102
• Mol file: 117610-63-6.mol

Synonyms:1,2-diundecanoyl-sn-glycero-3-phosphoethanolamine;1,2-diundecanoylphosphatidylethanolamine;DUPDE

Chemical Property of 1,2-Diundecanoylphosphatidylethanolamine

Chemical Property:

• Vapor Pressure: 2.84E-17mmHg at 25°C
• Boiling Point: 625.9°Cat760mmHg
• Flash Point: 332.3°C
• PSA: 144.19000
• Density: 1.061g/cm³
• LogP: 7.29560
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 29
• Exact Mass: 551.35870468
• Heavy Atom Count: 37
• Complexity: 605

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCC

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