(2S)-(β-D-Glucopyranosyloxy)(Phenyl)Acetonitrile

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Properties Simple | Detailed

Formula C14H17NO6
IUPAC Name (2s)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-acetonitrile
Molecular Mass 295.288 g·mol−1
Heat of Formation -865.7 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 337.81 Å 3
Surface Area 282.75 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-ethanenitrile
  • (2s)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
  • (2s)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-acetonitrile
  • (2s)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-acetonitrile
  • (2s)-2-phenyl-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]acetonitrile
  • (s)-mandelonitrile beta-d-glucoside
  • (s)-prunasin
  • benzeneacetonitrile, alpha-(beta-d-glucopyranosyloxy)-, (alphas)-
  • l-prunasin
CAS Number(s)
  • 99-19-4
InChIKey ZKSZEJFBGODIJW-YOVYLDAJSA-N
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