(2S)-2-Amino-4-{[(2S,3R)-2,3,5-Trihydroxy-4-Oxopentyl]Sulfanyl}Butanoic Acid

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Properties Simple | Detailed

Formula C9H17NO6S
IUPAC Name (2s)-2-amino-4-[(2s,3r)-2,3,5-trihydroxy-4-oxo-pentyl]sulfanyl-butanoic acid
Molecular Mass 267.299 g·mol−1
Heat of Formation -1118.1 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 306.5 Å 3
Surface Area 290.25 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-[(2s,3r)-2,3,5-trihydroxy-4-oxo-pentyl]sulfanyl-butanoic acid
  • (2s)-2-amino-4-[(2s,3r)-2,3,5-trihydroxy-4-oxopentyl]sulfanylbutanoic acid
  • (2s)-2-amino-4-[[(2s,3r)-2,3,5-trihydroxy-4-keto-pentyl]thio]butyric acid
  • (2s)-2-amino-4-[[(2s,3r)-2,3,5-trihydroxy-4-oxopentyl]thio]butanoic acid
  • (s)-2-amino-4-[(2s,3r)-2,3,5-trihydroxy-4-oxo-pentyl]mercapto-butyric acid
  • kri
InChIKey QFXXRJSDEMCBPH-ARDNSNSESA-N
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