Physicochemical Properties
| Molecular Formula | C26H35O6F3 |
| Exact Mass | 500.23857 |
| CAS # | 340181-93-3 |
| PubChem CID | 21881150 |
| Appearance | Typically exists as solid at room temperature |
| LogP | 4.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 13 |
| Heavy Atom Count | 35 |
| Complexity | 693 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC(OC(CCC/C=C\C[C@H]1C(O)CC(O)[C@@H]1/C=C/[C@@H](COC1=CC=CC(C(F)(F)F)=C1)O)=O)C |
| InChi Key | MKPLKVHSHYCHOC-RMMJCHCQSA-N |
| InChi Code | InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3+,13-12+ |
| Chemical Name | propan-2-yl (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate |
| Synonyms | 15(S)-Fluprostenol isopropyl ester; SCHEMBL2177081; 5-Heptenoic acid, 7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-4-[3-(trifluoroMethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-, 1-Methylethyl ester, (5Z)- |