Prunasin

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Properties Simple | Detailed

Formula C14H17NO6
IUPAC Name (2r)-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 -860.3 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 345.15 Å 3
Surface Area 302.05 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-(beta-d-glucopyranosyloxy)(phenyl)acetonitrile
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-ethanenitrile
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-acetonitrile
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-acetonitrile
  • (2r)-2-phenyl-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]acetonitrile
  • (r)-(beta-d-glucopyranosyloxy)phenylacetonitrile
  • (r)-alpha-(beta-d-glucopyranosyloxy)benzene-acetonitrile
  • (r)-mandelonitrile beta-d-glucopyranoside
  • (r)-mandelonitrile beta-d-glucoside
  • (r)-prunasin
  • benzeneacetonitrile, alpha-(beta-d-glucopyranosyloxy)-, (r)- (9ci)
  • d-mandelonitrile-beta-d-glucoside
  • d-prunasin
CAS Number(s)
  • 99-18-3
InChIKey ZKSZEJFBGODIJW-GMDXDWKASA-N
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