5-{[(3S)-3-Amino-3-Carboxypropyl]Sulfanyl}Pentanoic Acid

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Properties Simple | Detailed

Formula C9H17NO4S
IUPAC Name 5-[(3s)-3-amino-3-carboxy-propyl]sulfanylpentanoic acid
Molecular Mass 235.301 g·mol−1
Heat of Formation -839.9 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 288.85 Å 3
Surface Area 281.34 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3s)-3-amino-4-hydroxy-4-oxo-butyl]sulfanylpentanoic acid
  • 5-[(3s)-3-amino-4-hydroxy-4-oxobutyl]sulfanylpentanoic acid
  • 5-[[(3s)-3-amino-4-hydroxy-4-keto-butyl]thio]valeric acid
  • 5-[[(3s)-3-amino-4-hydroxy-4-oxobutyl]thio]pentanoic acid
  • s-(d-carboxybutyl)-l-homocysteine
InChIKey BMONDXDFXRPNKQ-ZETCQYMHSA-N
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