(3R)-3-(Octanoyloxy)-4-(Trimethylammonio)Butanoate

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Properties Simple | Detailed

Formula C15H30NO4+
IUPAC Name [(2r)-3-carboxy-2-octanoyloxy-propyl]-trimethyl-ammonium
Molecular Mass 288.403 g·mol−1
Heat of Formation -823.5 ± 16.7 kJ·mol−1
Dipole Moment 9.95 ± 1.08 D
Volume 391.07 Å 3
Surface Area 332.38 Å 2
HOMO Energy -7.91 ± 0.55 eV
LUMO Energy 3.83 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(1-oxooctoxy)-4-trimethylammoniobutanoate
  • (3r)-3-caprylyloxy-4-trimethylammonio-butyrate
  • (3r)-3-octanoyloxy-4-trimethylammonio-butanoate
  • (3r)-3-octanoyloxy-4-trimethylazaniumyl-butanoate
  • (3r)-3-octanoyloxy-4-trimethylazaniumylbutanoate
  • l-octanoylcarnitine
  • lmfa07070002
  • o-octanoyl-r-carnitine
InChIKey CXTATJFJDMJMIY-CYBMUJFWSA-N
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