Ethyl N-Acetyl-L-Tyrosinate

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Properties Simple | Detailed

Formula C13H17NO4
IUPAC Name ethyl (2s)-2-acetamido-3-(4-hydroxyphenyl)propanoate
Molecular Mass 251.278 g·mol−1
Heat of Formation -726.7 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 311.83 Å 3
Surface Area 267.84 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid ethyl ester
  • (2s)-2-acetamido-3-(4-hydroxyphenyl)propionic acid ethyl ester
  • ac-tyr-oet
  • atee
  • ethyl (2s)-2-acetamido-3-(4-hydroxyphenyl)propanoate
  • ethyl n-alpha-acetyl-tyrosinate
  • n-acetyl-l-tyrosine ethyl ester
  • n-acetyl-l-tyrosine ethyl ester monohydrate
  • tyrosine, n-acetyl-, ethyl ester, l- (8ci)
CAS Number(s)
  • 36546-50-6
  • 840-97-1
  • 7584-82-9
InChIKey SKAWDTAMLOJQNK-LBPRGKRZSA-N
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