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

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Properties Simple | Detailed

Formula C18H35NO4
IUPAC Name (3r)-4-(trimethylammonio)-3-undecanoyloxy-butanoate
Molecular Mass 329.475 g·mol−1
Heat of Formation -889.0 ± 16.7 kJ·mol−1
Dipole Moment 10.25 ± 1.08 D
Volume 455.08 Å 3
Surface Area 379.65 Å 2
HOMO Energy -7.93 ± 0.55 eV
LUMO Energy 3.82 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(1-oxoundecoxy)-4-trimethylammoniobutanoate
  • (3r)-4-trimethylammonio-3-undecanoyloxy-butanoate
  • (3r)-4-trimethylammonio-3-undecanoyloxy-butyrate
  • (3r)-4-trimethylazaniumyl-3-undecanoyloxy-butanoate
  • (3r)-4-trimethylazaniumyl-3-undecanoyloxybutanoate
  • 1-propanaminium, 3-carboxy-n,n,n-trimethyl-2-((1-oxoundecyl)oxy)-, inner salt, (r)-
  • undecanoyl carnitine
  • undecanoylcarnitine
CAS Number(s)
  • 40079-42-3
InChIKey FPUYBGZEWPJSDX-MRXNPFEDSA-N
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