[(2R)-2-Butanoyloxy-3-[Hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphoryl]Oxypropyl] Butanoate
[CAS# 148504-92-1]

Identification

• Name: [(2R)-2-Butanoyloxy-3-[Hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphoryl]Oxypropyl] Butanoate
• Synonyms: [(2R)-2-Butanoyloxy-3-[Hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-Propyl] Butanoate; Butanoic Acid [(2R)-3-[Hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-2-(1-Oxobutoxy)Propyl] Ester; Butyric Acid [(2R)-2-Butyryloxy-3-[Hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexoxy]Phosphoryl]Oxy-Propyl] Ester
• Molecular Formula: C₁₇H₃₁O₁₃P
• Molecular Weight: 474.40
• CAS Registry Number: 148504-92-1
• SMILES: [C@@H]1(O)C(O[P](OC[C@H](OC(=O)CCC)COC(=O)CCC)(O)=O)[C@@H](O)[C@@H](O)C(O)[C@H]1O
• InChI: 1S/C17H31O13P/c1-3-5-10(18)27-7-9(29-11(19)6-4-2)8-28-31(25,26)30-17-15(23)13(21)12(20)14(22)16(17)24/h9,12-17,20-24H,3-8H2,1-2H3,(H,25,26)/t9-,12?,13-,14+,15+,16+,17?/m1/s1
• InChIKey: SFURGELIJOUFHC-NZDZZDABSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 634.002°C at 760 mmHg (Cal.)
• Flash point: 337.232°C (Cal.)