(2S)-2-{[(2R)-2-Amino-2-Carboxyethyl]Sulfanyl}Succinic Acid

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Properties Simple | Detailed

Formula C7H11NO6S
IUPAC Name (2s)-2-[(2r)-2-amino-2-carboxy-ethyl]sulfanylbutanedioic acid
Molecular Mass 237.230 g·mol−1
Heat of Formation -1142.1 ± 16.7 kJ·mol−1
Dipole Moment 1.01 ± 1.08 D
Volume 258.17 Å 3
Surface Area 244.13 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(2r)-2-amino-3-hydroxy-3-oxo-propyl]sulfanylbutanedioic acid
  • (2s)-2-[(2r)-2-amino-3-hydroxy-3-oxopropyl]sulfanylbutanedioic acid
  • (2s)-2-[[(2r)-2-amino-3-hydroxy-3-keto-propyl]thio]succinic acid
  • (2s)-2-[[(2r)-2-amino-3-hydroxy-3-oxopropyl]thio]butanedioic acid
InChIKey XPKKFTKCRVIDAG-IMJSIDKUSA-N
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