Dhurrin

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Properties Simple | Detailed

Formula C14H17NO7
IUPAC Name (2s)-2-(4-hydroxyphenyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-acetonitrile
Molecular Mass 311.287 g·mol−1
Heat of Formation -1074.5 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 352.32 Å 3
Surface Area 297.19 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-(beta-d-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
  • (2s)-2-(4-hydroxyphenyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-ethanenitrile
  • (2s)-2-(4-hydroxyphenyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
  • (2s)-2-(4-hydroxyphenyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-acetonitrile
  • (2s)-2-(4-hydroxyphenyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-acetonitrile
  • (2s)-2-(4-hydroxyphenyl)-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]acetonitrile
  • (alphas)-alpha-(beta-d-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile
  • (s)-(beta-d-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
  • (s)-4-hydroxymandelonitrile beta-d-glucoside
  • (s)-p-hydroxymandelnitrile-beta-d-glucopyranoside
  • benzeneacetonitrile, alpha-(beta-d-glucopyranosyloxy)-4-hydroxy-, (alphas)-
CAS Number(s)
  • 499-20-7
InChIKey NVLTYOJHPBMILU-YOVYLDAJSA-N
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