L-3-Nitrotyrosine

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Properties Simple | Detailed

Formula C9H10N2O5
IUPAC Name (2s)-2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoic acid
Molecular Mass 226.186 g·mol−1
Heat of Formation -491.6 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 251.77 Å 3
Surface Area 229.04 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoic acid
  • (2s)-2-amino-3-(4-hydroxy-3-nitro-phenyl)propionic acid
  • (2s)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid
  • 3-mononitrotyrosine
  • 3-nitrotyrosine
  • tyrosine, 3-nitro-
  • tyrosine, 3-nitro-, l- (8ci)
CAS Number(s)
  • 3604-79-3
InChIKey FBTSQILOGYXGMD-LURJTMIESA-N
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