(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-Hydroxy-4-(3-Thienyloxy)-1-Buten-1-Yl]Cyclopentyl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C20H28O6S
IUPAC Name (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3r)-3-hydroxy-4-(3-thienyloxy)but-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular Mass 396.498 g·mol−1
Heat of Formation -1011.8 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 506.22 Å 3
Surface Area 388.46 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey FYBFDIIAPRHIQS-KKBLUXBBSA-N
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