S-[(2S,3R)-2,3-Dihydroxy-4-(Hydroxyamino)-4-Oxobutyl]-L-Homocysteine

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Properties Simple | Detailed

Formula C8H16N2O6S
IUPAC Name (2s)-2-amino-4-[(2s,3r)-2,3-dihydroxy-4-(hydroxyamino)-4-oxo-butyl]sulfanyl-butanoic acid
Molecular Mass 268.287 g·mol−1
Heat of Formation -1004.6 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 301.85 Å 3
Surface Area 287.35 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-[(2r,3s)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid
  • (2s)-2-amino-4-[(2s,3r)-2,3-dihydroxy-4-(hydroxyamino)-4-oxo-butyl]sulfanyl-butanoic acid
  • (2s)-2-amino-4-[[(2s,3r)-2,3-dihydroxy-4-(hydroxyamino)-4-keto-butyl]thio]butyric acid
  • (2s)-2-amino-4-[[(2s,3r)-2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl]thio]butanoic acid
  • h1d
InChIKey PWFBZASPUNGGAM-KVQBGUIXSA-N
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