(+)-Boronolide

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Properties Simple | Detailed

Formula C18H26O8
IUPAC Name [(1s)-1-[(1r,2r)-1,2-diacetoxy-2-[(2r)-6-oxo-2,3-dihydropyran-2-yl]ethyl]pentyl] acetate
Molecular Mass 370.394 g·mol−1
Heat of Formation -1545.4 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 447.03 Å 3
Surface Area 373.94 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,3s)-1,3-diacetyloxy-1-[(2r)-6-oxo-2,3-dihydropyran-2-yl]heptan-2-yl] acetate
  • [(1r,2r,3s)-1,3-diacetyloxy-1-[(2r)-6-oxo-2,3-dihydropyran-2-yl]heptan-2-yl] ethanoate
  • [(1r,2s)-2-acetoxy-1-[(r)-acetoxy-[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]hexyl] acetate
  • acetic acid [(1r,2s)-2-acetoxy-1-[(r)-acetoxy-[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]hexyl] ester
InChIKey BRBSZFBUFZWHCT-BURFUSLBSA-N
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