Ronacaleret

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Properties Simple | Detailed

Formula C25H31F2NO4
IUPAC Name 3-[3,4-difluoro-5-[(2r)-2-hydroxy-3-[(2-indan-2-yl-1,1-dimethyl-ethyl)amino]propoxy]phenyl]propanoic acid
Molecular Mass 447.515 g·mol−1
Heat of Formation -1101.8 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 545.54 Å 3
Surface Area 389.15 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3,4-difluoro-5-[(2r)-2-hydroxy-3-[(2-indan-2-yl-1,1-dimethyl-ethyl)amino]propoxy]phenyl]propanoic acid
  • 3-[3,4-difluoro-5-[(2r)-2-hydroxy-3-[(2-indan-2-yl-1,1-dimethyl-ethyl)amino]propoxy]phenyl]propionic acid
  • 3-[3,4-difluoro-5-[(2r)-2-hydroxy-3-[[2-(2-indanyl)-1,1-dimethylethyl]amino]propoxy]phenyl]propanoic acid
  • 3-[3-[(2r)-3-[[1-(2,3-dihydro-1h-inden-2-yl)-2-methyl-propan-2-yl]amino]-2-hydroxy-propoxy]-4,5-difluoro-phenyl]propanoic acid
  • 3-[3-[(2r)-3-[[1-(2,3-dihydro-1h-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acid
InChIKey FQJISUPNMFRIFZ-HXUWFJFHSA-N
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