3-(Methylsulfonyl)-L-Alanine

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Properties Simple | Detailed

Formula C4H9NO4S
IUPAC Name (2r)-2-amino-3-methylsulfonyl-propanoic acid
Molecular Mass 167.184 g·mol−1
Heat of Formation -729.2 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 180.98 Å 3
Surface Area 180.43 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy 3.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-mesyl-propionic acid
  • (2r)-2-amino-3-methylsulfonyl-propanoic acid
  • (2r)-2-amino-3-methylsulfonylpropanoic acid
InChIKey AINYOQVNQVOYSR-VKHMYHEASA-N
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