3-[(3-Nitro-2-Pyridinyl)Disulfanyl]-L-Alanine

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Properties Simple | Detailed

Formula C8H10N3O4S2
IUPAC Name (2r)-2-amino-3-[(3-nitropyridin-1-ium-3-id-2-yl)disulfanyl]propanoic acid
Molecular Mass 276.313 g·mol−1
Heat of Formation -235.6 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 284.27 Å 3
Surface Area 258.78 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(3-nitropyridin-2-yl)disulfanyl-propanoic acid
  • (2r)-2-amino-3-(3-nitropyridin-2-yl)disulfanylpropanoic acid
  • (2r)-2-amino-3-[(3-nitro-2-pyridyl)disulfanyl]propanoic acid
  • (2r)-2-amino-3-[(3-nitro-2-pyridyl)disulfanyl]propionic acid
  • l-alanine, 3-((3-nitro-2-pyridinyl)dithio)-
  • npys-cysteine
  • s-(3-nitro-2-pyridinesulfenyl)cysteine
CAS Number(s)
  • 79546-55-7
InChIKey SOGTULYCPNFAGT-YFKPBYRVSA-N
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