(2R)-1-(Phosphonooxy)-3-(Tridecanoyloxy)-2-Propanyl Pentadecanoate

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Properties Simple | Detailed

Formula C31H61O8P
IUPAC Name [(1r)-1-(phosphonooxymethyl)-2-tridecanoyloxy-ethyl] pentadecanoate
Molecular Mass 592.785 g·mol−1
Heat of Formation -2312.7 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 796.57 Å 3
Surface Area 729.84 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-(phosphonooxymethyl)-2-tridecanoyloxy-ethyl] pentadecanoate
  • [(2r)-1-phosphonooxy-3-tridecanoyloxy-propan-2-yl] pentadecanoate
  • [(2r)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] pentadecanoate
  • pentadecanoic acid [(1r)-1-(1-oxotridecoxymethyl)-2-phosphonooxyethyl] ester
  • pentadecanoic acid [(1r)-1-(phosphonooxymethyl)-2-tridecanoyloxy-ethyl] ester
InChIKey UOOPRMYYAWVCCZ-GDLZYMKVSA-N
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