(2S,3S)-2-[(1E,3S,4S)-3,4-Dihydroxy-1-Penten-1-Yl]-6-Oxo-3,6-Dihydro-2H-Pyran-3-Yl (2E)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C15H20O6
IUPAC Name [(2s,3s)-2-[(e,3s,4s)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (e)-2-methylbut-2-enoate
Molecular Mass 296.316 g·mol−1
Heat of Formation -971.3 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 360.83 Å 3
Surface Area 301.97 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-methylbut-2-enoic acid [(2s,3s)-2-[(e,3s,4s)-3,4-dihydroxypent-1-enyl]-6-keto-2,3-dihydropyran-3-yl] ester
  • (e)-2-methylbut-2-enoic acid [(2s,3s)-2-[(e,3s,4s)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] ester
  • [(2s,3s)-2-[(e,3s,4s)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (e)-2-methylbut-2-enoate
  • acon0_000031
  • acon1_001076
  • megxm0_000024
CAS Number(s)
  • 97529-84-5
InChIKey JTHHOHSDOJJNFN-HIWLEQICSA-N
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