[(2R)-2-Hexadecanoyloxy-3-[Hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-Tetrahydroxy-5-Phosphonooxycyclohexyl]Oxyphosphoryl]Oxypropyl] Hexadecanoate
[CAS# 165689-81-6]

Identification

• Name: [(2R)-2-Hexadecanoyloxy-3-[Hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-Tetrahydroxy-5-Phosphonooxycyclohexyl]Oxyphosphoryl]Oxypropyl] Hexadecanoate
• Synonyms: [(2R)-2-Hexadecanoyloxy-3-[Hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-Tetrahydroxy-5-Phosphonooxy-Cyclohexoxy]Phosphoryl]Oxy-Propyl] Hexadecanoate; Hexadecanoic Acid [(2R)-3-[Hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-Tetrahydroxy-5-Phosphonooxycyclohexoxy]Phosphoryl]Oxy-2-(1-Oxohexadecoxy)Propyl] Ester; Palmitic Acid [(2R)-2-Hexadecanoyloxy-3-[Hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-Tetrahydroxy-5-Phosphonooxy-Cyclohexoxy]Phosphoryl]Oxy-Propyl] Ester
• Molecular Formula: C₄₁H₈₀O₁₆P₂
• Molecular Weight: 891.02
• CAS Registry Number: 165689-81-6
• SMILES: [C@@H]1(O[P](OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(=O)O)[C@H](O)[C@H](O[P](=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O
• InChI: 1S/C41H80O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h33,36-41,44-47H,3-32H2,1-2H3,(H,51,52)(H2,48,49,50)/t33-,36+,37+,38-,39-,40-,41+/m1/s1
• InChIKey: SZPQTEWIRPXBTC-KFOWTEFUSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 921.092°C at 760 mmHg (Cal.)
• Flash point: 510.858°C (Cal.)