4-{(1R,2S,3S)-2-(Hydroxymethyl)-3-[(4R,5S)-2-Hydroxy-5-Methyltetrahydro-2H-Pyran-4-Yl]-2-Methylcyclopropyl}-2-Butanone

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Properties Simple | Detailed

Formula C15H26O4
IUPAC Name 4-[(1r,2s,3s)-2-(hydroxymethyl)-3-[(2s,4r,5s)-2-hydroxy-5-methyl-tetrahydropyran-4-yl]-2-methyl-cyclopropyl]butan-2-one
Molecular Mass 270.365 g·mol−1
Heat of Formation -816.9 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 355.8 Å 3
Surface Area 301.61 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1r,2s,3s)-2-(hydroxymethyl)-3-[(2s,4r,5s)-2-hydroxy-5-methyl-4-tetrahydropyranyl]-2-methylcyclopropyl]butan-2-one
  • 4-[(1r,2s,3s)-2-(hydroxymethyl)-3-[(2s,4r,5s)-2-hydroxy-5-methyl-oxan-4-yl]-2-methyl-cyclopropyl]butan-2-one
  • 4-[(1r,2s,3s)-2-(hydroxymethyl)-3-[(2s,4r,5s)-2-hydroxy-5-methyl-tetrahydropyran-4-yl]-2-methyl-cyclopropyl]butan-2-one
  • 4-[(1r,2s,3s)-2-(hydroxymethyl)-3-[(2s,4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-methylcyclopropyl]butan-2-one
  • 4-[(1r,2s,3s)-3-[(2s,4r,5s)-2-hydroxy-5-methyl-tetrahydropyran-4-yl]-2-methyl-2-methylol-cyclopropyl]butan-2-one
InChIKey XWGMWDXATZANIP-MXRZOMGYSA-N
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