[(2R)-2-Hexadecanoyloxy-3-[Hydroxy-[(2S,3R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphoryl]Oxypropyl] Hexadecanoate
[CAS# 156925-83-6]

Identification

• Name: [(2R)-2-Hexadecanoyloxy-3-[Hydroxy-[(2S,3R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphoryl]Oxypropyl] Hexadecanoate
• Synonyms: [(2R)-2-Hexadecanoyloxy-3-[Hydroxy-[(2S,3R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-Propyl] Hexadecanoate; Hexadecanoic Acid [(2R)-3-[Hydroxy-[(2S,3R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-2-(1-Oxohexadecoxy)Propyl] Ester; Palmitic Acid [(2R)-2-Hexadecanoyloxy-3-[Hydroxy-[(2S,3R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-Propyl] Ester
• Molecular Formula: C₄₁H₇₉O₁₃P
• Molecular Weight: 811.04
• CAS Registry Number: 156925-83-6
• SMILES: [C@H]1([C@H]([C@H]([C@@H]([C@@H]([C@H]1O)O[P](OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)(=O)O)O)O)O)O
• 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-HVCZMHBXSA-N

Properties

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