(2R)-Phenyl{[6-O-(β-D-Xylopyranosyl)-β-D-Glucopyranosyl]Oxy}Acetonitrile

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Properties Simple | Detailed

Formula C19H25NO10
IUPAC Name (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile
Molecular Mass 427.403 g·mol−1
Heat of Formation -1577.1 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 480.01 Å 3
Surface Area 407.98 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-ethanenitrile
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile
  • (2r)-2-phenyl-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]acetonitrile
  • benzeneacetonitrile,alpha-((6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)oxy)-,(r)-
  • lucumin
CAS Number(s)
  • 1392-28-5
InChIKey YYYCJNDALLBNEG-DZMQVIFMSA-N
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