Molecule structure of ICI 79,939 (CAS NO.40666-04-4) :

IUPAC Name: (Z)-7-[(2R)-2-[(E,3R)-4-(4-fluorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid 
Molecular Weight: 408.460463 g/mol
Molecular Formula: C₂₂H₂₉FO₆ 
Density: 1.301 g/cm³ 
Boiling Point: 615.4 °C at 760 mmHg 
Flash Point: 326 °C
Index of Refraction: 1.607
Molar Refractivity: 108.46 cm³
Molar Volume: 313.9 cm³
Polarizability: 43×10^-24 cm³
Surface Tension: 54.1 dyne/cm 
Enthalpy of Vaporization: 95.99 kJ/mol
Vapour Pressure: 5.29E-16 mmHg at 25 °C
XLogP3: 2.2
H-Bond Donor: 4
H-Bond Acceptor: 7
Rotatable Bond Count: 11
Exact Mass: 408.194817
MonoIsotopic Mass: 408.194817
Topological Polar Surface Area: 107
Heavy Atom Count: 29
Complexity: 543
Defined Atom StereoCenter Count: 2
Undefined Atom StereoCenter Count: 3
Defined Bond StereoCenter Count: 2
Covalently-Bonded Unit Count: 1
Canonical SMILES: C1C(C(C(C1O)C=CC(COC2=CC=C(C=C2)F)O)CC=CCCCC(=O)O)O
Isomeric SMILES: C1C([C@@H](C(C1O)C/C=C\CCCC(=O)O)/C=C/[C@H](COC2=CC=C(C=C2)F)O)O
InChIKey of ICI 79,939 (CAS NO.40666-04-4) : CVJGVCBPOYDYKS-USKRPNENSA-N

Deadly poison by an unspecified route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of F⁻.

 ICI 79,939 (CAS NO.40666-04-4) is also called racemic-ICI 79,939 ; 5-Heptenoic acid, 7-(2-(4-(4-fluorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (1-alpha-(Z),2-beta-(1E,3S*),3-alpha,5-alpha)- .