(R)-1-(5,8-Dihydroxy-1,4-Dioxo-1,4-Dihydro-2-Naphthyl)-4-Methyl-3-Pentenyl Isovalerate

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Formula C21H24O6
IUPAC Name [(1r)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbutanoate
Molecular Mass 372.412 g·mol−1
Heat of Formation -1000.4 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 448.58 Å 3
Surface Area 376.74 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutanoic acid [(1r)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester
  • 3-methylbutyric acid [(1r)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester
  • [(1r)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbutanoate
  • [(1r)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-methylbutanoate
  • [(1r)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate
InChIKey UTOUNDHZJFIVPK-QGZVFWFLSA-N
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