(5Z,11α,13E,15S,16S)-11,15-Dihydroxy-20-Methoxy-16-Methyl-9-Oxoprosta-5,13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C22H36O6
IUPAC Name (e)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s,4s)-3-hydroxy-8-methoxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
Molecular Mass 396.518 g·mol−1
Heat of Formation -1279.6 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 507.53 Å 3
Surface Area 369.42 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
InChIKey KEJJEEMSWMJCHB-CBNBABKMSA-N
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