[(2R)-3-[Hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate

Base Information

• Chemical Name: [(2R)-3-[Hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
• CAS No.: 137819-86-4
• Molecular Formula: C47H79N4O11P
• Molecular Weight: 729.019041
• DSSTox Substance ID: DTXSID70584221
• Wikidata: Q82475855
• Mol file: 137819-86-4.mol

Synonyms:[(2R)-3-[Hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate;137819-86-4;DTXSID70584221;RKWFXILULDJZBB-JJYVMECISA-N;1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 7-nitrobenzofurazan-labeled;1,2-dioleoyl-sn-glycero-3-phosphoethanolamine,7-nitrobenzofurazan-labeled;(9E,21R)-24-Hydroxy-27-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-9-en-21-yl (9E)-octadec-9-enoate;1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 7-nitrobenzofurazan-labeled, BioReagent, suitable for fluorescence, ammonium salt, >=98.0% (TLC)

Chemical Property of [(2R)-3-[Hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate

Chemical Property:

• Vapor Pressure: 3.7E-34mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 891.9°C at 760 mmHg
• PKA: 1.39±0.50(Predicted)
• Flash Point: 493.2°C
• PSA: 214.94000
• Density: 1.115g/cm³
• LogP: 13.80270
• Storage Temp.: −20°C
• XLogP3: 14.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 43
• Exact Mass: 906.54829635
• Heavy Atom Count: 63
• Complexity: 1290

Purity/Quality:

98%Min ^*data from raw suppliers

1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 7-NITROBENZOFURAZAN-LABELED 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])OC(=O)CCCCCCC/C=C/CCCCCCCC