({(2S,3R)-3-[(3,5-Di-Tert-Butyl-4-Hydroxyphenyl)Sulfanyl]Butan-2-Yl}Oxy)Acetic Acid

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Properties Simple | Detailed

Formula C20H32O4S
IUPAC Name 2-[(1s,2r)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-propoxy]acetic acid
Molecular Mass 368.531 g·mol−1
Heat of Formation -894.3 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 473.26 Å 3
Surface Area 361.28 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1s,2r)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-propoxy]acetic acid
  • 2-[(1s,2r)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-methyl-propoxy]acetic acid
  • 2-[(1s,2r)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-methylpropoxy]acetic acid
  • 2-[(2s,3r)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylbutan-2-yl]oxyethanoic acid
  • 2-[(2s,3r)-3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutan-2-yl]oxyacetic acid
InChIKey ADVNUIUADIXWMI-QWHCGFSZSA-N
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