2-{[(3R)-3-(Propionyloxy)-4-(Trimethylammonio)Butanoyl]Amino}Ethanesulfonate

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Properties Simple | Detailed

Formula C12H25N2O6S+
IUPAC Name 2-[[(3r)-3-propanoyloxy-4-(trimethylammonio)butanoyl]amino]ethanesulfonate
Molecular Mass 325.402 g·mol−1
Heat of Formation -1125.4 ± 16.7 kJ·mol−1
Dipole Moment 12.93 ± 1.08 D
Volume 370.08 Å 3
Surface Area 292.77 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanaminium, n,n,n-trimethyl-4-oxo-2-(1-oxopropoxy)-4-((2-sulfoethyl)amino)-, hydroxide, inner salt, (r)-
  • 2-[[(3r)-1-oxo-3-(1-oxopropoxy)-4-trimethylammoniobutyl]amino]ethanesulfonate
  • 2-[[(3r)-3-propanoyloxy-4-trimethylammonio-butanoyl]amino]ethanesulfonate
  • 2-[[(3r)-3-propanoyloxy-4-trimethylazaniumyl-butanoyl]amino]ethanesulfonate
  • 2-[[(3r)-3-propanoyloxy-4-trimethylazaniumylbutanoyl]amino]ethanesulfonate
  • 2-[[(3r)-3-propionyloxy-4-trimethylammonio-butanoyl]amino]ethanesulfonate
  • propionylcarnitine-taurine amide
CAS Number(s)
  • 76932-34-8
InChIKey GVUMQCYAFGFJPT-SNVBAGLBSA-N
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