(2R,3S,4S)-4-Acetyl-3,4-Dimethyl-5-Oxotetrahydro-2-Furanyl Acetate

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Properties Simple | Detailed

Formula C10H14O5
IUPAC Name [(2r,3s,4s)-4-acetyl-3,4-dimethyl-5-oxo-tetrahydrofuran-2-yl] acetate
Molecular Mass 214.215 g·mol−1
Heat of Formation -950.4 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 253.82 Å 3
Surface Area 224.94 Å 2
HOMO Energy -10.41 ± 0.55 eV
LUMO Energy 3.47 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-acetomycin
  • 2(3h)-furanone, 3-acetyl-5-(acetyloxy)-dihydro-3,4-dimethyl-, (3s-(3alpha,4alpha,5alpha))-
  • 2(3h)-furanone, 3-acetyl-5-(acetyloxy)dihydro-3,4-dimethyl-
  • [(2r,3s,4s)-4-acetyl-3,4-dimethyl-5-oxo-tetrahydrofuran-2-yl] acetate
  • [(2r,3s,4s)-4-acetyl-3,4-dimethyl-5-oxooxolan-2-yl] acetate
  • [(2r,3s,4s)-4-ethanoyl-3,4-dimethyl-5-oxo-oxolan-2-yl] ethanoate
  • acetic acid [(2r,3s,4s)-4-acetyl-3,4-dimethyl-5-oxo-2-tetrahydrofuranyl] ester
  • acetic acid [(2r,3s,4s)-4-acetyl-5-keto-3,4-dimethyl-tetrahydrofuran-2-yl] ester
  • acetomycin
CAS Number(s)
  • 510-18-9
InChIKey OYMZTORLGBISLR-RHFNHBFPSA-N
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Elements H C O