(+)-Integrasone

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Properties Simple | Detailed

Formula C14H20O5
IUPAC Name (1ar,2r,5r,6r,6as)-5-hexyl-2,6-dihydroxy-2,5,6,6a-tetrahydro-1ah-oxireno[2,3-f]isobenzofuran-3-one
Molecular Mass 268.306 g·mol−1
Heat of Formation -768.2 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 326.1 Å 3
Surface Area 298.71 Å 2
HOMO Energy -10.77 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • integrasone
  • oxireno[f]isobenzofuran-3(1ah)-one, 5-hexyl-2,5,6,6a-tetrahydro-2,6-dihydroxy-, (1ar,2r,5r,6r,6as)-
InChIKey OHAVJEXAZZCXML-KDRYVUTISA-N
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Elements H C O