(5E)-7-{(2R,3S,4S)-4-Hydroxy-2-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-6-Oxotetrahydro-2H-Pyran-3-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C20H32O6
IUPAC Name (e)-7-[(2r,3s,4s)-4-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-6-oxo-tetrahydropyran-3-yl]hept-5-enoic acid
Molecular Mass 368.464 g·mol−1
Heat of Formation -1230.6 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 477.41 Å 3
Surface Area 375.38 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
InChIKey KJYIVXDPWBUJBQ-SOGWKEBJSA-N
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