[(2S)-3-(2-Aminoethoxy-Hydroxyphosphoryl)Oxy-2-[6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyloxy]Propyl] Hexadecanoate
[CAS# 108762-10-3]

Identification

• Name: [(2S)-3-(2-Aminoethoxy-Hydroxyphosphoryl)Oxy-2-[6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyloxy]Propyl] Hexadecanoate
• Synonyms: [(2S)-3-(2-Aminoethoxy-Hydroxy-Phosphoryl)Oxy-2-[6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyloxy]Propyl] Hexadecanoate; Hexadecanoic Acid [(2S)-3-(2-Aminoethoxy-Hydroxyphosphoryl)Oxy-2-[6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]-1-Oxohexoxy]Propyl] Ester; Palmitic Acid [(2S)-3-(2-Aminoethoxy-Hydroxy-Phosphoryl)Oxy-2-[6-[(7-Nitrobenzofurazan-4-Yl)Amino]Hexanoyloxy]Propyl] Ester
• Molecular Formula: C₃₃H₅₆N₅O₁₁P
• Molecular Weight: 729.81
• CAS Registry Number: 108762-10-3
• SMILES: [C@@H](OC(=O)CCCCCNC1=CC=C([N+]([O-])=O)C2=NON=C12)(CO[P](OCCN)(=O)O)COC(=O)CCCCCCCCCCCCCCC
• InChI: 1S/C33H56N5O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-30(39)45-25-27(26-47-50(43,44)46-24-22-34)48-31(40)19-16-14-17-23-35-28-20-21-29(38(41)42)33-32(28)36-49-37-33/h20-21,27,35H,2-19,22-26,34H2,1H3,(H,43,44)/t27-/m0/s1
• InChIKey: ZTLZETXSUXUPJQ-MHZLTWQESA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 808.225°C at 760 mmHg (Cal.)
• Flash point: 442.599°C (Cal.)