(2S)-2-(2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-1-Yl)-4-(Methylsulfonyl)Butanoic Acid

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Properties Simple | Detailed

Formula C9H11NO6S
IUPAC Name (2s)-2-(2,5-dioxopyrrol-1-yl)-4-methylsulfonyl-butanoic acid
Molecular Mass 261.252 g·mol−1
Heat of Formation -938.2 ± 16.7 kJ·mol−1
Dipole Moment 7.55 ± 1.08 D
Volume 279.48 Å 3
Surface Area 254.87 Å 2
HOMO Energy -10.61 ± 0.55 eV
LUMO Energy 1.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2,5-dioxo-1-pyrrolyl)-4-methylsulfonylbutanoic acid
  • (2s)-2-(2,5-dioxopyrrol-1-yl)-4-methylsulfonyl-butanoic acid
  • (2s)-2-(2,5-dioxopyrrol-1-yl)-4-methylsulfonylbutanoic acid
  • (2s)-2-maleimido-4-mesyl-butyric acid
  • 1h-pyrrole-1-acetic acid, 2,5-dihydro-alpha-(2-(methylsulfonyl)ethyl)-2,5-dioxo-, (s)-
  • n-maleoylmethionine sulfone
  • n-mms
CAS Number(s)
  • 84057-88-5
InChIKey YYNDITMIOYYROY-LURJTMIESA-N
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