(7E)-9-{4,6-Dihydroxy-2-[(1E)-3-Hydroxy-1-Octen-1-Yl]Tetrahydro-2H-Pyran-3-Yl}-7-Nonenoic Acid

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Properties Simple | Detailed

Formula C22H38O6
IUPAC Name (e)-9-[(2r,3s,4r,6s)-4,6-dihydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]tetrahydropyran-3-yl]non-7-enoic acid
Molecular Mass 398.534 g·mol−1
Heat of Formation -1333.0 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 528.42 Å 3
Surface Area 433.15 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 3.43 ± eV
Point Group Symmetry C1
InChIKey PXYWKDWTLGSULH-KMZBRVBQSA-N
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