Butyl 3-Hydroxy-L-Tyrosinate

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Properties Simple | Detailed

Formula C13H19NO4
IUPAC Name butyl (2s)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Molecular Mass 253.294 g·mol−1
Heat of Formation -717.4 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 320.07 Å 3
Surface Area 267.23 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid butyl ester
  • (2s)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid butyl ester
  • butyl (2s)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
  • l-tyrosine, 3-hydroxy-, butyl ester
  • levodopa butyl ester
CAS Number(s)
  • 39638-52-3
InChIKey QDMOINLDXCZCEK-JTQLQIEISA-N
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