1-Myristoyl-2-(2-azido-4-nitrobenzoyl)phosphatidylcholine

Base Information

• Chemical Name: 1-Myristoyl-2-(2-azido-4-nitrobenzoyl)phosphatidylcholine
• CAS No.: 96912-01-5
• Molecular Formula: C40H71 N6 O10 P
• Molecular Weight: 826.999701
• DSSTox Substance ID: DTXSID70242637
• Mol file: 96912-01-5.mol

Synonyms:1-myristoyl-2-(2-azido-4-nitrobenzoyl)-sn-glycero-3-phosphocholine;1-myristoyl-2-(2-azido-4-nitrobenzoyl)phosphatidylcholine;PL II

Chemical Property of 1-Myristoyl-2-(2-azido-4-nitrobenzoyl)phosphatidylcholine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 228.60000
• Density: g/cm³
• LogP: 11.33260
• XLogP3: 11.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 38
• Exact Mass: 826.49692948
• Heavy Atom Count: 57
• Complexity: 1170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-]
• Isomeric SMILES: CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-]

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