(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C9H11NO6S
IUPAC Name sulfo (2s)-2-amino-3-(4-hydroxyphenyl)propanoate
Molecular Mass 261.252 g·mol−1
Heat of Formation -995.1 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 275.66 Å 3
Surface Area 238.5 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(4-hydroxyphenyl)propanoic acid sulfo ester
  • (2s)-2-amino-3-(4-hydroxyphenyl)propionic acid sulfo ester
  • l-tyrosine o-sulfate
  • l-tyrosine, hydrogen sulfate (ester)
  • sulfo (2s)-2-amino-3-(4-hydroxyphenyl)propanoate
  • sulfotyrosine
  • tyrosine o-sulfate
  • tyrosine sulfate
CAS Number(s)
  • 956-46-7
InChIKey UEWPQJAUFIBPSJ-QMMMGPOBSA-N
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