[3-[Hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphoryl]Oxy-2-[6-[(4-Nitro-1,3-Dihydro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyloxy]Propyl] (Z)-Octadec-9-Enoate
[CAS# 110121-15-8]

Identification

• Name: [3-[Hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphoryl]Oxy-2-[6-[(4-Nitro-1,3-Dihydro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyloxy]Propyl] (Z)-Octadec-9-Enoate
• Synonyms: [3-[Hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-2-[6-[(4-Nitro-1,3-Dihydro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyloxy]Propyl] (Z)-Octadec-9-Enoate; (Z)-Octadec-9-Enoic Acid [3-[Hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-2-[6-[(4-Nitro-1,3-Dihydro-2,1,3-Benzoxadiazol-7-Yl)Amino]-1-Oxohexoxy]Propyl] Ester; (Z)-Octadec-9-Enoic Acid [3-[Hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-2-[6-[(7-Nitro-1,3-Dihydrobenzofurazan-4-Yl)Amino]Hexanoyloxy]Propyl] Ester
• Molecular Formula: C₃₉H₆₅N₄O₁₆P
• Molecular Weight: 876.93
• CAS Registry Number: 110121-15-8
• SMILES: [C@@H]3(O)C(O[P](OCC(OC(=O)CCCCCNC2=C1NONC1=C([N+]([O-])=O)C=C2)COC(=O)CCCCCCC\C=C/CCCCCCCC)(O)=O)[C@@H](O)[C@H](O)C(O)[C@@H]3O
• InChI: 1S/C39H65N4O16P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-30(44)55-25-27(26-56-60(53,54)58-39-37(49)35(47)34(46)36(48)38(39)50)57-31(45)21-18-16-19-24-40-28-22-23-29(43(51)52)33-32(28)41-59-42-33/h9-10,22-23,27,34-42,46-50H,2-8,11-21,24-26H2,1H3,(H,53,54)/b10-9-/t27?,34?,35-,36+,37-,38-,39?/m0/s1
• InChIKey: VYZAUTQLNRWWCV-MVLHOLQTSA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 941.708°C at 760 mmHg (Cal.)
• Flash point: 523.326°C (Cal.)