(2R)-2-(β-D-Glucopyranosyloxy)-3-Methylbutanenitrile

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Properties Simple | Detailed

Formula C11H19NO6
IUPAC Name (2r)-3-methyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanenitrile
Molecular Mass 261.272 g·mol−1
Heat of Formation -1061.6 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 308.81 Å 3
Surface Area 269.1 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-methyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-butanenitrile
  • (2r)-3-methyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
  • (2r)-3-methyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanenitrile
  • (2r)-3-methyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butyronitrile
  • (2r)-3-methyl-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]butanenitrile
CAS Number(s)
  • 57103-47-6
InChIKey CQWWASNOGSDPRL-OVHRRVLLSA-N
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