(βs)-β,3-Dihydroxy-D-Tyrosine

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Properties Simple | Detailed

Formula C9H11NO5
IUPAC Name (2r,3s)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-propanoic acid
Molecular Mass 213.187 g·mol−1
Heat of Formation -832.7 ± 16.7 kJ·mol−1
Dipole Moment 1.42 ± 1.08 D
Volume 235.97 Å 3
Surface Area 218.09 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-2-ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxy-propionate
  • (2r,3s)-2-ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate
  • (2r,3s)-2-azaniumyl-3-(3,4-dihydroxyphenyl)-3-hydroxy-propanoate
InChIKey QXWYKJLNLSIPIN-SFYZADRCSA-N
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