(5S,6R)-5-Hydroxy-6-Methyl-3-[(2S,3S)-3-Methyl-2-Oxiranyl]-5,6-Dihydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C9H12O4
IUPAC Name (2r,3s)-3-hydroxy-2-methyl-5-[(2s,3s)-3-methyloxiran-2-yl]-2,3-dihydropyran-6-one
Molecular Mass 184.189 g·mol−1
Heat of Formation -561.8 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 217.61 Å 3
Surface Area 206.49 Å 2
HOMO Energy -10.56 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6r)-5-hydroxy-6-methyl-3-[(2s,3s)-3-methyl-2-oxiranyl]-5,6-dihydropyran-2-one
  • (5s,6r)-5-hydroxy-6-methyl-3-[(2s,3s)-3-methyloxiran-2-yl]-5,6-dihydropyran-2-one
  • 2h-pyran-2-one, 5,6-dihydro-5-hydroxy-6-methyl-3-(3-methyloxiranyl)-
  • aspyrone
CAS Number(s)
  • 17398-00-4
InChIKey RCAULRNMJFUWRP-HETMPLHPSA-N
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