1-Palmitoyl-2-(N-(12-((7-nitrobenz-2-oxa-1,3-diazole-4-yl)amino)dodecanoyl))phosphatidylserine

Base Information

• Chemical Name: 1-Palmitoyl-2-(N-(12-((7-nitrobenz-2-oxa-1,3-diazole-4-yl)amino)dodecanoyl))phosphatidylserine
• CAS No.: 138898-75-6
• Molecular Formula: C40H68 N5 O13 P
• Molecular Weight: 857.967381
• DSSTox Substance ID: DTXSID60160836
• Wikidata: Q83029174
• Mol file: 138898-75-6.mol

Synonyms:(1-palmitoyl-2-NBD-aminododecanoyl)phosphatidylserine;(palmitoyl-C12-NBD)-PS;1-palmitoyl-2-(N-(12-((7-nitrobenz-2-oxa-1,3-diazole-4-yl)amino)dodecanoyl))phosphatidylserine

Chemical Property of 1-Palmitoyl-2-(N-(12-((7-nitrobenz-2-oxa-1,3-diazole-4-yl)amino)dodecanoyl))phosphatidylserine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 913.5°Cat760mmHg
• Flash Point: 506.3°C
• PSA: 278.26000
• Density: 1.209g/cm³
• LogP: 10.22220
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 39
• Exact Mass: 857.45512424
• Heavy Atom Count: 59
• Complexity: 1220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]