(4-(2-(((1R,2S)-1-Hydroxy-1-(4-Hydroxyphenyl)Propan-2-Yl)Amino)Ethyl)-2,5-Dimethylphenoxy)Acetic Acid

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Properties Simple | Detailed

Formula C21H27NO5
IUPAC Name 2-[4-[2-[[(1s,2r)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-2,5-dimethyl-phenoxy]acetic acid
Molecular Mass 373.443 g·mol−1
Heat of Formation -836.3 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 462.88 Å 3
Surface Area 403.92 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[2-[[(1r,2s)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethyl-phenoxy]ethanoic acid
  • 2-[4-[2-[[(1r,2s)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetic acid
  • 2-[4-[2-[[(1s,2r)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-2,5-dimethyl-phenoxy]acetic acid
  • 2-[4-[2-[[(1s,2r)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-2,5-dimethylphenoxy]acetic acid
InChIKey VMMYRRFPMAGXNP-BTYIYWSLSA-N
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