(2R)-(β-D-Glucopyranosyloxy)(4-Hydroxyphenyl)Acetonitrile

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Properties Simple | Detailed

Formula C14H17NO7
IUPAC Name (2r)-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 -1058.2 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 351.18 Å 3
Surface Area 310.67 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(4-hydroxyphenyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-ethanenitrile
  • (2r)-2-(4-hydroxyphenyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-acetonitrile
  • (2r)-2-(4-hydroxyphenyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-acetonitrile
  • (2r)-2-(4-hydroxyphenyl)-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]acetonitrile
  • (r)-4-hydroxymandelonitrile beta-d-glucoside
  • (r)-alpha-(beta-d-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile
  • (r)-p-hydroxymandelonitrile-d-glucopyranoside
  • benzeneacetonitrile, alpha-(beta-d-glucopyranosyloxy)-4-hydroxy-, (r)-
  • taxiphyllin
CAS Number(s)
  • 21401-21-8
InChIKey NVLTYOJHPBMILU-GMDXDWKASA-N
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