(2R)-3-(Methylsulfanyl)-2-{[(2S)-2-Methyl-3-Sulfanylpropanoyl]Oxy}Propanoic Acid

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Properties Simple | Detailed

Formula C8H14O4S2
IUPAC Name (2r)-3-methylsulfanyl-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]oxy-propanoic acid
Molecular Mass 238.324 g·mol−1
Heat of Formation -777.6 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 277.95 Å 3
Surface Area 251.33 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2s)-3-mercapto-2-methyl-1-oxopropoxy]-3-(methylthio)propanoic acid
  • (2r)-2-[(2s)-3-mercapto-2-methyl-propanoyl]oxy-3-(methylthio)propionic acid
  • (2r)-3-methylsulfanyl-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]oxy-propanoic acid
  • (2r)-3-methylsulfanyl-2-[(2s)-2-methyl-3-sulfanylpropanoyl]oxypropanoic acid
  • (r)-2-(3-mercapto-2(s)-methyl-1-oxopropoxy)-3-(methylthio)propanoic acid
  • fpl 66564
  • fpl-66564
CAS Number(s)
  • 140369-78-4
InChIKey LFBBWVTUUAFKIO-RITPCOANSA-N
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