(2E)-3-[(2S,3R,4R,5R)-3,4-Dihydroxy-2,4,5-Trimethyltetrahydro-2-Furanyl]-2-Methylacrylaldehyde

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Properties Simple | Detailed

Formula C11H18O4
IUPAC Name (e)-3-[(2s,3r,4r,5r)-3,4-dihydroxy-2,4,5-trimethyl-tetrahydrofuran-2-yl]-2-methyl-prop-2-enal
Molecular Mass 214.258 g·mol−1
Heat of Formation -737.2 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 269.91 Å 3
Surface Area 234.55 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[(2s,3r,4r,5r)-3,4-dihydroxy-2,4,5-trimethyl-2-tetrahydrofuranyl]-2-methylprop-2-enal
  • (e)-3-[(2s,3r,4r,5r)-3,4-dihydroxy-2,4,5-trimethyl-oxolan-2-yl]-2-methyl-prop-2-enal
  • (e)-3-[(2s,3r,4r,5r)-3,4-dihydroxy-2,4,5-trimethyl-tetrahydrofuran-2-yl]-2-methyl-acrolein
  • (e)-3-[(2s,3r,4r,5r)-3,4-dihydroxy-2,4,5-trimethyl-tetrahydrofuran-2-yl]-2-methyl-prop-2-enal
  • (e)-3-[(2s,3r,4r,5r)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal
CAS Number(s)
  • 94120-02-2
  • 97514-85-7
InChIKey YDZGIHHZMNNFMM-NWUITSLLSA-N
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