[3-Hexadecanoyloxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Base Information

• Chemical Name: [3-Hexadecanoyloxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
• CAS No.: 81005-34-7
• Molecular Formula: C36H62N5O11P
• Molecular Weight: 771.8781
• DSSTox Substance ID: DTXSID101001696
• ChEMBL ID: CHEMBL2074959
• Mol file: 81005-34-7.mol

Synonyms:1-palmitoyl-2-(6-(N-(7-nitrobenz)-2-oxa-1,3-diazol-4-yl)aminocaproyl)phosphatidylcholine;C6-NBD-PC

Chemical Property of [3-Hexadecanoyloxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Chemical Property:

• PSA: 221.00000
• LogP: 8.26270
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 33
• Exact Mass: 771.41834481
• Heavy Atom Count: 53
• Complexity: 1070

Purity/Quality:

>98% ^*data from raw suppliers

1-PALMITOYL-2-(6-(N-(7-NITROBENZ)-2-OXA-1,3-DIAZOL-4-YL)AMINOCAPROYL)PHOSPHATIDYLCHOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]