7-[3,5-Dihydroxy-2-[3-Hydroxy-4-(3-Thienyloxy)-1-Butenyl]Cyclopentyl]-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C20H28O6S
IUPAC Name (e)-7-[(1r,2r,3r,5r)-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 -995.3 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 502.81 Å 3
Surface Area 390.21 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey FYBFDIIAPRHIQS-JYZWTCRTSA-N
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