(2R)-3-[(Hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-Trihydroxy-4,5-Bis(Phosphonooxy)Cyclohexyl]Oxy}Phosphoryl)Oxy]Propane-1,2-Diyl Dioctanoate

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Properties Simple | Detailed

Formula C25H49O19P3
IUPAC Name [(2r)-3-[hydroxy-[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-2-octanoyloxy-propyl] octanoate
Molecular Mass 746.566 g·mol−1
Heat of Formation -4764.3 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 821.79 Å 3
Surface Area 698.84 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-diacyl-sn-glycero-3-phospho-(1-d-myo-inositol4,5-bisphosphate)
  • [(2r)-3-[hydroxy-[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-2-octanoyloxy-propyl] octanoate
  • [(2r)-3-[hydroxy-[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-2-octanoyloxy-propyl] octanoate
  • [(2r)-3-[hydroxy-[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
  • caprylic acid [(2r)-2-caprylyloxy-3-[hydroxy-[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-propyl] ester
  • l-alpha-d-myophosphatidylinositol 4,5-bisphosphate, d(+)sn1,2di-o-octanoylglyceryl
  • l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate, dioctanoyl
  • l-alpha-phosphatidylinositol 4,5-diphosphate sodium salt
  • octanoic acid [(2r)-3-[hydroxy-[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexoxy]phosphoryl]oxy-2-(1-oxooctoxy)propyl] ester
  • triphosphoinositide
InChIKey XLNCEHRXXWQMPK-MJUMVPIBSA-N
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