(2R)-1-(Hexadecyloxy)-3-(2,2,2-Trifluoroethoxy)-2-Propanyl Methyl Hydrogen (S)-Phosphate

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Properties Simple | Detailed

Formula C22H44F3O6P
IUPAC Name [(1r)-1-(hexadecoxymethyl)-2-(2,2,2-trifluoroethoxy)ethyl] methyl hydrogen phosphate
Molecular Mass 492.550 g·mol−1
Heat of Formation -2374.1 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 615.55 Å 3
Surface Area 556.28 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hexadecyl-3-trifluoroethyl-sn-glycero-2-phosphate methane
  • [(1r)-1-(cetyloxymethyl)-2-(2,2,2-trifluoroethoxy)ethyl] methyl hydrogen phosphate
  • [(1r)-1-(hexadecoxymethyl)-2-(2,2,2-trifluoroethoxy)ethyl] methyl hydrogen phosphate
  • [(2r)-1-hexadecoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate
  • mj33 inhibitor
  • mji
InChIKey XPTFBVFCGHXMRK-OAQYLSRUSA-N
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