Lotaustralin

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Properties Simple | Detailed

Formula C11H19NO6
IUPAC Name (2r)-2-methyl-2-[(2s,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 -1048.1 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 313.18 Å 3
Surface Area 273.96 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-methyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-butanenitrile
  • (2r)-2-methyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
  • (2r)-2-methyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanenitrile
  • (2r)-2-methyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butyronitrile
  • (2r)-2-methyl-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]butanenitrile
  • 2(r)-hydroxy-2-methylbutyronitrile-beta-d-glucopyranoside
  • butanenitrile, 2-(beta-d-glucopyranosyloxy)-2-methyl-, (r)-
CAS Number(s)
  • 534-67-8
InChIKey WEWBWVMTOYUPHH-QHAQEBJBSA-N
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