Ethyl 3-Nitro-L-Tyrosinate

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Properties Simple | Detailed

Formula C11H14N2O5
IUPAC Name ethyl (2s)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
Molecular Mass 254.239 g·mol−1
Heat of Formation 1399.9 ± 16.7 kJ·mol−1
Dipole Moment 9.05 ± 1.08 D
Volume 266.87 Å 3
Surface Area 250.16 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -2.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(4-hydroxy-3-nitro-phenyl)propionic acid ethyl ester
  • (2s)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid ethyl ester
  • ethyl (2s)-2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoate
  • ethyl (2s)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
  • l-tyrosine, 3-nitro-, ethyl ester
  • nitrotyrosine ethyl ester
CAS Number(s)
  • 53497-45-3
InChIKey VDFGKWYGLJURQQ-QMMMGPOBSA-N
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