(2R)-{[6-O-(α-L-Arabinopyranosyl)-Beta-D-Glucopyranosyl]Oxy}(Phenyl)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,5s)-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 7.26 ± 1.08 D
Volume 476.23 Å 3
Surface Area 404.28 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-phenyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5s)-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,5s)-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,5s)-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,5s)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]acetonitrile
  • (r)-vicianin
CAS Number(s)
  • 155-57-7
InChIKey YYYCJNDALLBNEG-GNRUMFBNSA-N
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