[(2R)-3-[Hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphoryl]Oxy-2-Octanoyloxypropyl] Octanoate
[CAS# 105172-95-0]

Identification

• Name: [(2R)-3-[Hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphoryl]Oxy-2-Octanoyloxypropyl] Octanoate
• Synonyms: [(2R)-3-[Hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-2-Octanoyloxy-Propyl] Octanoate; Octanoic Acid [(2R)-3-[Hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-2-(1-Oxooctoxy)Propyl] Ester; Caprylic Acid [(2R)-2-Caprylyloxy-3-[Hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-Propyl] Ester
• Molecular Formula: C₂₅H₄₇O₁₃P
• Molecular Weight: 586.61
• CAS Registry Number: 105172-95-0
• SMILES: [C@H]1(O)C(O[P](OC[C@H](OC(=O)CCCCCCC)COC(=O)CCCCCCC)(O)=O)[C@H](O)[C@@H](O)C(O)[C@H]1O
• InChI: 1S/C25H47O13P/c1-3-5-7-9-11-13-18(26)35-15-17(37-19(27)14-12-10-8-6-4-2)16-36-39(33,34)38-25-23(31)21(29)20(28)22(30)24(25)32/h17,20-25,28-32H,3-16H2,1-2H3,(H,33,34)/t17-,20?,21-,22+,23-,24-,25?/m1/s1
• InChIKey: UPUKKDCTWWVPCJ-NUPIXEBLSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 698.771°C at 760 mmHg (Cal.)
• Flash point: 376.403°C (Cal.)