[(2R)-2-Hexanoyloxy-3-[Hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphoryl]Oxypropyl] Hexanoate
[CAS# 148437-41-6]

Identification

• Name: [(2R)-2-Hexanoyloxy-3-[Hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphoryl]Oxypropyl] Hexanoate
• Synonyms: [(2R)-2-Hexanoyloxy-3-[Hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-Propyl] Hexanoate; Hexanoic Acid [(2R)-3-[Hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-2-(1-Oxohexoxy)Propyl] Ester; Hexanoic Acid [(2R)-2-Caproyloxy-3-[Hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-Propyl] Ester
• Molecular Formula: C₂₁H₃₉O₁₃P
• Molecular Weight: 530.51
• CAS Registry Number: 148437-41-6
• SMILES: [C@@H]1(O)C(O[P](OC[C@H](OC(=O)CCCCC)COC(=O)CCCCC)(O)=O)[C@@H](O)[C@@H](O)C(O)[C@H]1O
• InChI: 1S/C21H39O13P/c1-3-5-7-9-14(22)31-11-13(33-15(23)10-8-6-4-2)12-32-35(29,30)34-21-19(27)17(25)16(24)18(26)20(21)28/h13,16-21,24-28H,3-12H2,1-2H3,(H,29,30)/t13-,16?,17-,18+,19+,20+,21?/m1/s1
• InChIKey: BYCNULBOTLVAKR-SBNMDPEDSA-N

Properties

• Density: 1.373g/cm³ (Cal.)
• Boiling point: 665.556°C at 760 mmHg (Cal.)
• Flash point: 356.316°C (Cal.)