Thromboxane A3
[CAS# 60114-68-3]

Identification

• Name: Thromboxane A3
• Synonyms: 5-Heptenoic Acid, 7-(3-(3-Hydroxy-1,5-Octadienyl)-2,6-Dioxabicyclo(3.1.1)Hept-4-Yl)-, (1S-(1Alpha,3Alpha(1E,3R*,5Z),4Beta,5Alpha))-; Txa3; Thromboxane A3
• Molecular Formula: C₂₀H₃₀O₅
• Molecular Weight: 350.45
• CAS Registry Number: 60114-68-3
• SMILES: [C@@H]12O[C@@H](O[C@@H]([C@H]1C\C=C/CCCC(=O)O)\C=C\[C@@H](O)C\C=C\CC)C2
• InChI: 1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h3-4,6-7,12-13,15-18,20-21H,2,5,8-11,14H2,1H3,(H,22,23)/b6-3+,7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1
• InChIKey: NMZKLLJQNNTBRJ-GIGDAOFJSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 526.911°C at 760 mmHg (Cal.)
• Flash point: 181.708°C (Cal.)