(3R)-3-{[3-(Methylsulfanyl)Propanoyl]Oxy}-4-(Trimethylammonio)Butanoate

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Properties Simple | Detailed

Formula C11H21NO4S
IUPAC Name (3r)-3-(3-methylsulfanylpropanoyloxy)-4-(trimethylammonio)butanoate
Molecular Mass 263.354 g·mol−1
Heat of Formation -667.9 ± 16.7 kJ·mol−1
Dipole Moment 11.45 ± 1.08 D
Volume 327.77 Å 3
Surface Area 282.71 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(3-methylsulfanylpropanoyloxy)-4-trimethylammonio-butanoate
  • (3r)-3-(3-methylsulfanylpropanoyloxy)-4-trimethylazaniumyl-butanoate
  • (3r)-3-(3-methylsulfanylpropanoyloxy)-4-trimethylazaniumylbutanoate
  • (3r)-3-[3-(methylthio)-1-oxopropoxy]-4-trimethylammoniobutanoate
  • (3r)-3-[3-(methylthio)propanoyloxy]-4-trimethylammonio-butyrate
  • mtp-carnitine
CAS Number(s)
  • 111640-10-9
InChIKey CQOQLOIRKUFXKA-SECBINFHSA-N
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