[(2R)-3-[[(2S,3S,5R,6S)-2,6-Dihydroxy-3,4,5-Triphosphonooxycyclohexyl]Oxy-Hydroxyphosphoryl]Oxy-2-Hexadecanoyloxypropyl] Hexadecanoate
[CAS# 165689-82-7]

Identification

• Name: [(2R)-3-[[(2S,3S,5R,6S)-2,6-Dihydroxy-3,4,5-Triphosphonooxycyclohexyl]Oxy-Hydroxyphosphoryl]Oxy-2-Hexadecanoyloxypropyl] Hexadecanoate
• Synonyms: [(2R)-3-[[(2S,3S,5R,6S)-2,6-Dihydroxy-3,4,5-Triphosphonooxy-Cyclohexoxy]-Hydroxy-Phosphoryl]Oxy-2-Hexadecanoyloxy-Propyl] Hexadecanoate; Hexadecanoic Acid [(2R)-3-[[(2S,3S,5R,6S)-2,6-Dihydroxy-3,4,5-Triphosphonooxycyclohexoxy]-Hydroxyphosphoryl]Oxy-2-(1-Oxohexadecoxy)Propyl] Ester; Palmitic Acid [(2R)-3-[[(2S,3S,5R,6S)-2,6-Dihydroxy-3,4,5-Triphosphonooxy-Cyclohexoxy]-Hydroxy-Phosphoryl]Oxy-2-Hexadecanoyloxy-Propyl] Ester
• Molecular Formula: C₄₁H₈₂O₂₂P₄
• Molecular Weight: 1050.98
• CAS Registry Number: 165689-82-7
• SMILES: [C@@H]1(O[P](O)(O)=O)C(O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O)C(O[P](OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)[C@@H]1O
• InChI: 1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/t33-,36+,37+,38?,39-,40+,41?/m1/s1
• InChIKey: ZSZXYWFCIKKZBT-ZVDPZPSOSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 1059.234°C at 760 mmHg (Cal.)
• Flash point: 594.404°C (Cal.)