(2S)-2-Amino-3-[[(2S)-3-Hexadecanoyloxy-2-[12-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Dodecanoyloxy]Propoxy]-Hydroxyphosphoryl]Oxypropanoic Acid
[CAS# 138898-75-6]

Identification

• Name: (2S)-2-Amino-3-[[(2S)-3-Hexadecanoyloxy-2-[12-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Dodecanoyloxy]Propoxy]-Hydroxyphosphoryl]Oxypropanoic Acid
• Synonyms: (2S)-2-Amino-3-[[(2S)-3-Hexadecanoyloxy-2-[12-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Dodecanoyloxy]Propoxy]-Hydroxy-Phosphoryl]Oxy-Propanoic Acid; (2S)-2-Amino-3-[Hydroxy-[(2S)-2-[12-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]-1-Oxododecoxy]-3-(1-Oxohexadecoxy)Propoxy]Phosphoryl]Oxypropanoic Acid; (2S)-2-Amino-3-[[(2S)-3-Hexadecanoyloxy-2-[12-[(7-Nitrobenzofurazan-4-Yl)Amino]Dodecanoyloxy]Propoxy]-Hydroxy-Phosphoryl]Oxy-Propionic Acid
• Molecular Formula: C₄₀H₆₈N₅O₁₃P
• Molecular Weight: 857.98
• CAS Registry Number: 138898-75-6
• SMILES: [C@@H](OC(=O)CCCCCCCCCCCNC1=CC=C([N+]([O-])=O)C2=NON=C12)(CO[P](OC[C@H](N)C(=O)O)(=O)O)COC(=O)CCCCCCCCCCCCCCC
• InChI: 1S/C40H68N5O13P/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-36(46)54-29-32(30-55-59(52,53)56-31-33(41)40(48)49)57-37(47)25-22-19-16-13-11-14-17-20-23-28-42-34-26-27-35(45(50)51)39-38(34)43-58-44-39/h26-27,32-33,42H,2-25,28-31,41H2,1H3,(H,48,49)(H,52,53)/t32-,33-/m0/s1
• InChIKey: RJXPDLXIFQXFME-LQJZCPKCSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 913.494°C at 760 mmHg (Cal.)
• Flash point: 506.263°C (Cal.)