(1R,5R,7S,8S)-8-Hydroxy-7-Phenyl-2,6-Dioxabicyclo[3.3.1]Nonan-3-One

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Properties Simple | Detailed

Formula C13H14O4
IUPAC Name (1r,3s,4s,5r)-4-hydroxy-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-7-one
Molecular Mass 234.248 g·mol−1
Heat of Formation -615.4 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 265.3 Å 3
Surface Area 237.96 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,5r)-2-hydroxy-3-phenyl-4,8-dioxabicyclo[3.3.1]nonan-7-one
  • 9-deoxygoniopypyrone
  • d-xylo-heptanoic acid, 3,7-anhydro-2,4-dideoxy-7-c-phenyl-, delta-lactone, (7s)-
  • d-xylo-heptonic acid, 3,7-anhydro-2,4-dideoxy-7-c-phenyl-, delta-lactone, (7s)-
CAS Number(s)
  • 136685-37-5
InChIKey ZPVLUTBGTWEMGV-AAXDQBDMSA-N
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