Djenkolic Acid

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Properties Simple | Detailed

Formula C7H16N2O4S2++
IUPAC Name (2r)-2-azaniumyl-3-[[(2r)-2-azaniumyl-2-carboxylato-ethyl]sulfanylmethylsulfanyl]propanoate
Molecular Mass 256.343 g·mol−1
Heat of Formation -548.9 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 283.48 Å 3
Surface Area 265.56 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-[[(2r)-2-amino-3-hydroxy-3-oxo-propyl]sulfanylmethylsulfanyl]propanoic acid
  • (2r)-2-amino-3-[[(2r)-2-amino-3-hydroxy-3-oxopropyl]sulfanylmethylsulfanyl]propanoic acid
  • (2r)-2-amino-3-[[[(2r)-2-amino-3-hydroxy-3-keto-propyl]thio]methylthio]propionic acid
  • (2r)-2-amino-3-[[[(2r)-2-amino-3-hydroxy-3-oxopropyl]thio]methylthio]propanoic acid
  • 3,3'-(methylenedithio)dialanine
  • alanine, 3,3'-(methylenedithio)di-, l- (8ci)
  • beta,beta'-methylenedithiodialanine
  • l-cysteine, s,s'-methylenebis- (9ci)
  • l-djenkolic acid
CAS Number(s)
  • 498-59-9
InChIKey JMQMNWIBUCGUDO-WHFBIAKZSA-N
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