(3R)-3-[(2-Propylpentanoyl)Oxy]-4-(Trimethylammonio)Butanoate

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Properties Simple | Detailed

Formula C15H29NO4
IUPAC Name (3r)-3-(2-propylpentanoyloxy)-4-(trimethylammonio)butanoate
Molecular Mass 287.395 g·mol−1
Heat of Formation -809.0 ± 16.7 kJ·mol−1
Dipole Moment 12.38 ± 1.08 D
Volume 380.99 Å 3
Surface Area 308.17 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(1-oxo-2-propylpentoxy)-4-trimethylammoniobutanoate
  • (3r)-3-(2-propylpentanoyloxy)-4-trimethylammonio-butanoate
  • (3r)-3-(2-propylpentanoyloxy)-4-trimethylammonio-butyrate
  • (3r)-3-(2-propylpentanoyloxy)-4-trimethylazaniumyl-butanoate
  • (3r)-3-(2-propylpentanoyloxy)-4-trimethylazaniumylbutanoate
  • (r)-3-carboxy-n,n,n-trimethyl-2-((1-oxo-2-propylpentyl)oxy)-1-propanaminium hydroxide, inner salt
  • 1-propanaminium, 3-carboxy-n,n,n-trimethyl-2-((1-oxo-2-propylpentyl)oxy)-, hydroxide, inner salt, (r)-
  • valproylcarnitine
CAS Number(s)
  • 95782-09-5
InChIKey FJMHZSLUVROGSY-CYBMUJFWSA-N
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