N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine
Basic information
- CAS
99684-86-3- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNc1ccc([N+](=O)[O-])c2nonc12)OC(=O)CCCCCCCCCCCCCCC- InChIKey
ODWMPKRLTCWGFP-UHFFFAOYSA-N- Molecular formula
- C43H75N4O11P
- Average molar mass
- 855 g/mol
- Monoisotopic mass
- 854.51699622
Names & identifiers
- Preferred name
- N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine
- IUPAC
- [2-hexadecanoyloxy-3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate
- English name
- N-4-nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine
- Molecular formula
- C43H75N4O11P
- Molecular weight
- 855.049561
Names & synonyms
N-Nbd-PE99684-86-3N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamineRefChem:1624991,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine, 7-nitrobenzofurazan-labeled92605-64-6TQP16271-(((Hydroxy(2-((7-nitro-4-benzofurazanyl)amino)ethoxy)phosphinyl)oxy)methyl)-1,2-ethanediyl hexadecanoate3-((hydroxy(2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)ethoxy)phosphoryl)oxy)propane-1,2-diyl dipalmitateHexadecanoic acid, 1-(((hydroxy(2-((7-nitro-4-benzofurazanyl)amino)ethoxy)phosphinyl)oxy)methyl)-1,2-ethanediyl ester[2-hexadecanoyloxy-3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate
Database identifiers
- CAS
99684-86-3- PubChem CID
- 127398
- DTXSID
DTXSID20276301- Nikkaji
- J776.588F
Properties
Computed structural properties
- XLogP
- 14.2
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 41
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,130
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Compound notes
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