(2R)-3-{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}-1,2-Propanediyl Dioctanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H38O11P2
IUPAC Name [(2r)-3-[hydroxy(phosphonooxy)phosphoryl]oxy-2-octanoyloxy-propyl] octanoate
Molecular Mass 504.446 g·mol−1
Heat of Formation -2966.5 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 582.44 Å 3
Surface Area 500.04 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r)-3-(hydroxy-phosphonooxy-phosphoryl)oxy-2-octanoyloxy-propyl] octanoate
  • [(2r)-3-(hydroxy-phosphonooxyphosphoryl)oxy-2-octanoyloxypropyl] octanoate
  • caprylic acid [(2r)-2-caprylyloxy-3-(hydroxy-phosphonooxy-phosphoryl)oxy-propyl] ester
  • octanoic acid [(2r)-3-(hydroxy-phosphonooxyphosphoryl)oxy-2-(1-oxooctoxy)propyl] ester
InChIKey MBDSUZSCJLRKPC-QGZVFWFLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O H