3,5-Diethyl-3'-Isopropyl-D,L-Thyronine

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Properties Simple | Detailed

Formula C22H29NO4
IUPAC Name (2s)-2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]propanoic acid
Molecular Mass 371.470 g·mol−1
Heat of Formation -726.9 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 484.89 Å 3
Surface Area 377.82 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]propanoic acid
  • (2s)-2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]propionic acid
  • (2s)-2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-isopropylphenoxy)phenyl]propanoic acid
  • (2s)-2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-propan-2-yl-phenoxy)phenyl]propanoic acid
  • (2s)-2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid
InChIKey GKJDPEATLHJZAT-IBGZPJMESA-N
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