Amygdalin

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Properties Simple | Detailed

Formula C20H27NO11
IUPAC Name (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile
Molecular Mass 457.428 g·mol−1
Heat of Formation -1549.2 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 513.25 Å 3
Surface Area 428.65 Å 2
Point Group Symmetry C1
Synonyms
  • (-)-d-mandelonitrile beta-d-gentiobioside
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-ethanenitrile
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile
  • (2r)-2-phenyl-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]acetonitrile
  • (2r)-[(6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy](phenyl)acetonitrile
  • smp1_000103
CAS Number(s)
  • 29883-15-6
InChIKey XUCIJNAGGSZNQT-JHSLDZJXSA-N
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