(2S,3S)-3-Hydroxy-2-Methyl-7-[(1E)-1-Propen-1-Yl]-2,3-Dihydro-4H,5H-Pyrano[4,3-B]Pyran-4,5-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C12H12O5
IUPAC Name (2s,3s)-3-hydroxy-2-methyl-7-[(e)-prop-1-enyl]-2,3-dihydropyrano[4,3-b]pyran-4,5-dione
Molecular Mass 236.221 g·mol−1
Heat of Formation -734.4 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 263.46 Å 3
Surface Area 252.79 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 1.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2,3-dihydro-4h,5h-pyrano[4,3-b]pyran-4,5-dione
  • (2s,3s)-3-hydroxy-2-methyl-7-[(e)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
  • (2s,3s)-3-hydroxy-2-methyl-7-[(e)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-quinone
  • (2s,3s)-3-hydroxy-2-methyl-7-prop-1-enyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
  • (2s,3s)-3-hydroxy-2-methyl-7-prop-1-enyl-2,3-dihydropyrano[3,2-c]pyran-4,5-quinone
  • 2,3-dihydro-3-alpha-hydroxy-2-beta-methyl-7-propenyl-4h,5h-pyrano(4,3-b)pyran-4,5-dione
  • 2,3-dihydro-3.alpha.-hydroxy-2.beta.-methyl-7-propenyl-4h,5h-pyrano[4,3-b]pyran-4,5-dione
  • 4h,5h-pyrano(4,3-b)pyran-4,5-dione, 2,3-dihydro-3-alpha-hydroxy-2-beta-methyl-7-propenyl-
  • 4h,5h-pyrano[4,3-b]pyran-4,5-dione, 2,3-dihydro-3-hydroxy-2-methyl-7-(1-propenyl)-, [2s-[2.alpha.,3.beta.,7(e)]]-
  • 4h,5h-pyrano[4,3-b]pyran-4,5-dione, 2,3-dihydro-3.alpha.-hydroxy-2.beta.-methyl-7-propenyl-
  • radicinin
  • radicinin (van)
CAS Number(s)
  • 29059-09-4
  • 10088-95-6
  • 10091-72-2
  • 1402-20-6
InChIKey SDKXGAICTNHFCN-DCJAWTJCSA-N
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