(1R)-1-(5,8-Dihydroxy-1,4-Dioxo-1,4-Dihydro-2-Naphthalenyl)-4-Methyl-3-Penten-1-Yl 3-Hydroxy-3-Methylbutanoate

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Properties Simple | Detailed

Formula C21H24O7
IUPAC Name [(1r)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-hydroxy-3-methyl-butanoate
Molecular Mass 388.411 g·mol−1
Heat of Formation -1205.6 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 458.19 Å 3
Surface Area 371.44 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxy-3-methyl-butyric acid [(1r)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester
  • 3-hydroxy-3-methylbutanoic acid [(1r)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester
  • [(1r)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-hydroxy-3-methyl-butanoate
  • [(1r)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-hydroxy-3-methyl-butanoate
  • [(1r)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate
InChIKey MXANJRGHSFELEJ-MRXNPFEDSA-N
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