Naroparcil

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Properties Simple | Detailed

Formula C19H17NO4S2
IUPAC Name 4-[4-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]sulfanylbenzoyl]benzonitrile
Molecular Mass 387.473 g·mol−1
Heat of Formation -345.0 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 431.56 Å 3
Surface Area 367.18 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]sulfanylbenzoyl]benzonitrile
  • 4-[4-[(2s,3r,4s,5s)-3,4,5-trihydroxythian-2-yl]sulfanylbenzoyl]benzonitrile
  • 4-[4-[(2s,3r,4s,5s)-3,4,5-trihydroxythian-2-yl]sulfanylphenyl]carbonylbenzonitrile
  • 4-[4-[[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]thio]benzoyl]benzonitrile
  • 4-[oxo-[4-[[(2s,3r,4s,5s)-3,4,5-trihydroxy-2-tetrahydrothiopyranyl]thio]phenyl]methyl]benzonitrile
  • p-(p-((5-thio-beta-d-xylopyranosyl)thio)benzoyl)benzonitrile.
CAS Number(s)
  • 120819-70-7
InChIKey IMAFEPKOGMHYNH-LULLPPNCSA-N
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