(6R)-6-[(1E,4R,6R)-4,6-Dihydroxy-8-Phenyl-1-Octen-1-Yl]-5,6-Dihydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C19H24O4
IUPAC Name (2r)-2-[(e,4r,6r)-4,6-dihydroxy-8-phenyl-oct-1-enyl]-2,3-dihydropyran-6-one
Molecular Mass 316.391 g·mol−1
Heat of Formation -610.4 ± 16.7 kJ·mol−1
Dipole Moment 7.10 ± 1.08 D
Volume 404.63 Å 3
Surface Area 371.42 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-6-[(e,4r,6r)-4,6-dihydroxy-8-phenyl-oct-1-enyl]-5,6-dihydropyran-2-one
  • (6r)-6-[(e,4r,6r)-4,6-dihydroxy-8-phenyloct-1-enyl]-5,6-dihydropyran-2-one
  • 2h-pyran-2-one, 6-[(1e,4r,6r)-4,6-dihydroxy-8-phenyl-1-octenyl]-5,6-dihydro-, (6r)-
  • 6-(4,6-dihydroxy-8-phenyl-oct-1-enyl)-5,6-dihydro-pyran-2-one
  • 6r-(4'r,6'r-dihydroxy-8'-phenyloct-1'-enyl)-5,6-dihydro-2-pyrone
  • rel-(6r)-6-[(1e,4r,6r)-4,6-dihydroxy-8-phenyloct-1-en-1-yl]-5,6-dihydro-2h-pyran-2-one
InChIKey QSFJVCDVSIBMCG-CMFXGKTQSA-N
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