(Z)-7-[(1S,2R,3R,5S)-6,6-Difluoro-3-[(E,3S)-3-Hydroxyoct-1-Enyl]-4,7-Dioxabicyclo[3.1.1]Heptan-2-Yl]Hept-5-Enoic Acid
[CAS# 121573-36-2]

Identification

• Name: (Z)-7-[(1S,2R,3R,5S)-6,6-Difluoro-3-[(E,3S)-3-Hydroxyoct-1-Enyl]-4,7-Dioxabicyclo[3.1.1]Heptan-2-Yl]Hept-5-Enoic Acid
• Synonyms: 10,10-Difluoro-Txa2; 10,10-Difluorothromboxane A2
• Molecular Formula: C₂₀H₃₀F₂O₅
• Molecular Weight: 388.45
• CAS Registry Number: 121573-36-2
• SMILES: [C@H]12O[C@H](O[C@@H]([C@H]1C\C=C/CCCC(=O)O)\C=C\[C@@H](O)CCCCC)C2(F)F
• InChI: 1S/C20H30F2O5/c1-2-3-6-9-14(23)12-13-16-15(10-7-4-5-8-11-17(24)25)18-20(21,22)19(26-16)27-18/h4,7,12-16,18-19,23H,2-3,5-6,8-11H2,1H3,(H,24,25)/b7-4-,13-12+/t14-,15+,16+,18-,19-/m0/s1
• InChIKey: GJCWJHMKKPOZIY-ZRUQSMBYSA-N

Properties

• Density: 1.199g/cm³ (Cal.)
• Boiling point: 495.821°C at 760 mmHg (Cal.)
• Flash point: 253.664°C (Cal.)