7-Fluoroprostacyclin

• Catalog: OFC84217118
• CAS: 84217-11-8
• Category: Fluorinated APIs
• Synonyms: Pgi2-7-F; (5Z)-5-[(3aR,4R,5R,6aR)-3-fluoro-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid; Prosta-5,13-dien-1-oic acid, 6,9-epoxy-7-fluoro-11,15-dihydroxy-, (5Z,9alpha,11alpha,13E,15S)-
• Purity: 98%

• IUPAC Name: (5Z)-5-[(3aR,4R,5R,6aR)-3-fluoro-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
• InChI: InChI=1S/C20H31FO5/c1-2-3-4-7-13(22)10-11-14-15(23)12-17-19(14)20(21)16(26-17)8-5-6-9-18(24)25/h8,10-11,13-15,17,19-20,22-23H,2-7,9,12H2,1H3,(H,24,25)/b11-10+,16-8-/t13-,14-,15+,17+,19+,20?/m0/s1
• InChI Key: PICZVWWLSUAEJF-QCODSTRBSA-N
• Isomeric SMILES: (5Z)-5-[(3aR,4R,5R,6aR)-3-fluoro-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid

• Molecular Formula: C20H31FO5
• Molecular Weight: 370.46
• Boiling Point: 532.1 °C at 760 mmHg
• Flash Point: 275.6 °C
• Density: 1.19 g/cm3
• Refractive Index: 1.535

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 370.21555225 g/mol
• Monoisotopic Mass: 370.21555225 g/mol
• Topological Polar Surface Area: 87Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 518