D-Myo-Inositol, 1-(2R)-2,3-Bis(1-Oxohexadecyl)Oxypropyl Hydrogen Phosphate
[CAS# 28366-80-5]

Identification

• Name: D-Myo-Inositol, 1-(2R)-2,3-Bis(1-Oxohexadecyl)Oxypropyl Hydrogen Phosphate
• Synonyms: [(2R)-2-Hexadecanoyloxy-3-[Hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-Propyl] Hexadecanoate; Hexadecanoic Acid [(2R)-3-[Hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-2-(1-Oxohexadecoxy)Propyl] Ester; Palmitic Acid [(2R)-2-Hexadecanoyloxy-3-[Hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-Propyl] Ester
• Molecular Formula: C₄₁H₇₉O₁₃P
• Molecular Weight: 811.04
• CAS Registry Number: 28366-80-5
• SMILES: [C@H]1(O)C(O[P](OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)[C@H](O)[C@@H](O)C(O)[C@H]1O
• InChI: 1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36?,37-,38+,39-,40-,41?/m1/s1
• InChIKey: IBUKXRINTKQBRQ-FOENULIHSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 831.369°C at 760 mmHg (Cal.)
• Flash point: 456.595°C (Cal.)