2-Amino-3-[Hydroxy-[2-[6-[(4-Nitro-1,3-Dihydro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyloxy]-3-[(E)-Octadec-9-Enoyl]Oxypropoxy]Phosphoryl]Oxypropanoic Acid
[CAS# 132880-14-9]

Identification

• Name: 2-Amino-3-[Hydroxy-[2-[6-[(4-Nitro-1,3-Dihydro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyloxy]-3-[(E)-Octadec-9-Enoyl]Oxypropoxy]Phosphoryl]Oxypropanoic Acid
• Synonyms: 2-Amino-3-[Hydroxy-[2-[6-[(4-Nitro-1,3-Dihydro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyloxy]-3-[(E)-Octadec-9-Enoyl]Oxy-Propoxy]Phosphoryl]Oxy-Propanoic Acid; 2-Amino-3-[Hydroxy-[2-[6-[(4-Nitro-1,3-Dihydro-2,1,3-Benzoxadiazol-7-Yl)Amino]-1-Oxohexoxy]-3-[(E)-1-Oxooctadec-9-Enoxy]Propoxy]Phosphoryl]Oxypropanoic Acid; 2-Amino-3-[Hydroxy-[2-[6-[(7-Nitro-1,3-Dihydrobenzofurazan-4-Yl)Amino]Hexanoyloxy]-3-[(E)-Octadec-9-Enoyl]Oxy-Propoxy]Phosphoryl]Oxy-Propionic Acid
• Molecular Formula: C₃₆H₆₀N₅O₁₃P
• Molecular Weight: 801.87
• CAS Registry Number: 132880-14-9
• SMILES: C2=CC(=C1NONC1=C2[N+]([O-])=O)NCCCCCC(OC(CO[P](OCC(N)C(=O)O)(=O)O)COC(=O)CCCCCCC\C=C\CCCCCCCC)=O
• InChI: 1S/C36H60N5O13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-32(42)50-25-28(26-51-55(48,49)52-27-29(37)36(44)45)53-33(43)21-18-16-19-24-38-30-22-23-31(41(46)47)35-34(30)39-54-40-35/h9-10,22-23,28-29,38-40H,2-8,11-21,24-27,37H2,1H3,(H,44,45)(H,48,49)/b10-9+
• InChIKey: MPEALQZPJOTEJL-MDZDMXLPSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 895.69°C at 760 mmHg (Cal.)
• Flash point: 495.496°C (Cal.)