(2S,3S)-3-Formyl-2-({[(4-Methylphenyl)Sulfonyl]Amino}Methyl)Pentanoic Acid

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Properties Simple | Detailed

Formula C14H19NO5S
IUPAC Name (2s,3s)-3-formyl-2-[(p-tolylsulfonylamino)methyl]pentanoic acid
Molecular Mass 313.369 g·mol−1
Heat of Formation -847.5 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 365.94 Å 3
Surface Area 325.27 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-3-formyl-2-[[(4-methylphenyl)sulfonylamino]methyl]pentanoic acid
  • (2s,3s)-3-formyl-2-[[(4-methylphenyl)sulfonylamino]methyl]valeric acid
  • (2s,3s)-3-methanoyl-2-[[(4-methylphenyl)sulfonylamino]methyl]pentanoic acid
InChIKey IDDWUPNJUMHKFQ-DGCLKSJQSA-N
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