Thromboxane B2
[CAS# 54397-85-2]

Identification

• Name: Thromboxane B2
• Synonyms: (Z)-7-[(2R,3S,4S)-4,6-Dihydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]Tetrahydropyran-3-Yl]Hept-5-Enoic Acid; (Z)-7-[(2R,3S,4S)-4,6-Dihydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-3-Tetrahydropyranyl]Hept-5-Enoic Acid; (5Z,13E,15S)-9Alpha,11,15-Trihydroxythromboxa-5,13-Dien-1-Oic Acid
• Molecular Formula: C₂₀H₃₄O₆
• Molecular Weight: 370.49
• CAS Registry Number: 54397-85-2
• SMILES: [C@H]1([C@H](OC(O)C[C@@H]1O)\C=C\[C@@H](O)CCCCC)C\C=C/CCCC(=O)O
• InChI: 1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1
• InChIKey: XNRNNGPBEPRNAR-JQBLCGNGSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 582.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 199.7±23.6°C (Cal.)

References

• (1): A. Chaudhuri, D. C. Jackson, T. J. Lerotholi, Robert G. Jones, T.-L. Lee, B. Detlefs and D. P. Woodruff. Structural investigation of Au(111)/butylthiolate adsorption phases, Phys. Chem. Chem. Phys., 2010, 12, 3229.