2,6-Difluoro-3-Hydroxy-L-Tyrosine

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Properties Simple | Detailed

Formula C9H9F2NO4
IUPAC Name (2s)-2-amino-3-(2,6-difluoro-3,4-dihydroxy-phenyl)propanoic acid
Molecular Mass 233.169 g·mol−1
Heat of Formation -1039.9 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 241.78 Å 3
Surface Area 220.54 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(2,6-difluoro-3,4-dihydroxy-phenyl)propanoic acid
  • (2s)-2-amino-3-(2,6-difluoro-3,4-dihydroxy-phenyl)propionic acid
  • (2s)-2-amino-3-(2,6-difluoro-3,4-dihydroxyphenyl)propanoic acid
  • 2,6-(18f)-difluoro-dopa
  • 2,6-difluoro-3,4-dihydroxyphenylalanine
  • 2,6-difluorodopa
CAS Number(s)
  • 128812-04-4
InChIKey MXGWBDJFLGLWLW-YFKPBYRVSA-N
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