Methyl (4Z,11α,13E)-11,16-Dihydroxy-16-Methyl-9-Oxoprosta-4,13-Dien-1-Oate

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Properties Simple | Detailed

Formula C22H36O5
IUPAC Name methyl (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-4-enoate
Molecular Mass 380.518 g·mol−1
Heat of Formation -1075.0 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 518.37 Å 3
Surface Area 417.28 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.82 ± eV
Point Group Symmetry C1
InChIKey CIBHDGPIOICRGX-IRRJNTFVSA-N
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Elements H C O