(2S,3R)-4-(3-Methylbutoxy)-4-Oxo-2,3-Disulfanylbutanoic Acid

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Properties Simple | Detailed

Formula C9H16O4S2
IUPAC Name (2s,3r)-4-isopentyloxy-4-oxo-2,3-bis(sulfanyl)butanoic acid
Molecular Mass 252.351 g·mol−1
Heat of Formation -825.6 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 296.41 Å 3
Surface Area 273.74 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-4-(3-methylbutoxy)-4-oxo-2,3-bis-sulfanyl-butanoic acid
  • (2s,3r)-4-(3-methylbutoxy)-4-oxo-2,3-bis-sulfanylbutanoic acid
  • (2s,3r)-4-isoamoxy-4-keto-2,3-dimercapto-butyric acid
  • (2s,3r)-4-isopentyloxy-2,3-dimercapto-4-oxobutanoic acid
  • (2s,3r)-4-isopentyloxy-4-oxo-2,3-bis-sulfanyl-butanoic acid
  • butanedioic acid, 2,3-dimercapto-, mono(3-methylbutyl) ester, (r*,s*)-
  • miadms
  • mono(3-methylbutyl) 2,3-dimercaptobutanedioate (r*,s*)-
  • monoisoamyl meso-2,3-dimercaptosuccinate
  • monoisoamyl-2,3-dimercaptosuccinate
CAS Number(s)
  • 142609-62-9
InChIKey RIBYSYWXWXMDSW-RQJHMYQMSA-N
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