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

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Properties Simple | Detailed

Formula C13H16N2O7S
IUPAC Name (2s,3s)-3-formyl-2-[[(4-nitrophenyl)sulfonylamino]methyl]pentanoic acid
Molecular Mass 344.340 g·mol−1
Heat of Formation -839.7 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 369.21 Å 3
Surface Area 319.78 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy -2.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-3-formyl-2-[[(4-nitrophenyl)sulfonylamino]methyl]valeric acid
  • (2s,3s)-3-methanoyl-2-[[(4-nitrophenyl)sulfonylamino]methyl]pentanoic acid
InChIKey JPQYVEFTAZEPOD-BXKDBHETSA-N
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