(1S,5R,6S)-5-Hydroxy-3-(Hydroxymethyl)-7-Oxabicyclo[4.1.0]Hept-3-En-2-One

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Properties Simple | Detailed

Formula C7H8O4
IUPAC Name (1s,2r,6s)-2-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one
Molecular Mass 156.136 g·mol−1
Heat of Formation -485.2 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 170.32 Å 3
Surface Area 169.53 Å 2
HOMO Energy -10.62 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,6s)-2-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one
  • (1s,2r,6s)-2-hydroxy-4-methylol-7-oxabicyclo[4.1.0]hept-3-en-5-one
  • 5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one
  • 7-oxabicyclo(4.1.0)hept-3-en-2-one, 5-hydroxy-3-(hydroxymethyl)-, (1r-(1alpha,5alpha,6alpha))-
  • isoepoxydon
CAS Number(s)
  • 67772-76-3
InChIKey VTLJDPHPVHSVGR-PRMYIZFSSA-N
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