α-(Fluoromethyl)-2,3-Dihydroxy-L-Phenylalanine

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Properties Simple | Detailed

Formula C10H12FNO4
IUPAC Name (2s)-2-amino-2-[(2,3-dihydroxyphenyl)methyl]-3-fluoro-propanoic acid
Molecular Mass 229.205 g·mol−1
Heat of Formation -842.2 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 255.0 Å 3
Surface Area 225.69 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-(2,3-dihydroxybenzyl)-3-fluoro-propionic acid
  • (2s)-2-amino-2-[(2,3-dihydroxyphenyl)methyl]-3-fluoro-propanoic acid
  • (2s)-2-amino-2-[(2,3-dihydroxyphenyl)methyl]-3-fluoropropanoic acid
  • alpha-(fluoromethyl)-2,3-dihydroxyphenylalanine
  • alpha-monofluoromethyl-beta-(2,3-dihydroxyphenyl)alanine
  • mdl 72,163
  • mdl 72163
  • phenylalanine, alpha-(fluoromethyl)-2,3-dihydroxy-
CAS Number(s)
  • 76409-26-2
InChIKey GWATUASDDKONLY-SNVBAGLBSA-N
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