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

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Properties Simple | Detailed

Formula C20H30O6
IUPAC Name (e)-7-[(2r,3s,4s)-4-hydroxy-2-[(1e,3r,5e)-3-hydroxyocta-1,5-dienyl]-6-oxo-tetrahydropyran-3-yl]hept-5-enoic acid
Molecular Mass 366.449 g·mol−1
Heat of Formation -1140.5 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 467.64 Å 3
Surface Area 382.31 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
InChIKey OAHMLWQISGEXBB-LTVZOIDASA-N
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Elements H C O