1-O-Octyl-2-Heptylphosphonylglycero-3-Phosphoethanolamine
[CAS# 120411-63-4]

Identification

• Name: 1-O-Octyl-2-Heptylphosphonylglycero-3-Phosphoethanolamine
• Synonyms: [(1R)-1-[(2-Aminoethoxy-Hydroxy-Phosphoryl)Oxymethyl]-2-Octoxy-Ethoxy]-Heptyl-Phosphinic Acid; [(1R)-1-[(2-Aminoethoxy-Hydroxyphosphoryl)Oxymethyl]-2-Octoxyethoxy]-Heptylphosphinic Acid; [(2R)-1-(2-Aminoethoxy-Hydroxy-Phosphoryl)Oxy-3-Octoxy-Propan-2-Yl]Oxy-Heptyl-Phosphinic Acid
• Molecular Formula: C₂₀H₄₅NO₈P₂
• Molecular Weight: 489.52
• CAS Registry Number: 120411-63-4
• SMILES: [C@H](O[P](=O)(O)CCCCCCC)(CO[P](OCCN)(=O)O)COCCCCCCCC
• InChI: 1S/C20H45NO8P2/c1-3-5-7-9-10-12-15-26-18-20(19-28-31(24,25)27-16-14-21)29-30(22,23)17-13-11-8-6-4-2/h20H,3-19,21H2,1-2H3,(H,22,23)(H,24,25)/t20-/m1/s1
• InChIKey: RCCNUBYROFOKAU-HXUWFJFHSA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 600.486°C at 760 mmHg (Cal.)
• Flash point: 316.963°C (Cal.)