2-Deoxy-2-Fluoroinositol 1,4,5-Trisphosphate
[CAS# 132489-75-9]

Identification

• Name: 2-Deoxy-2-Fluoroinositol 1,4,5-Trisphosphate
• Synonyms: (4-Fluoro-2,5-Dihydroxy-3,6-Diphosphonooxy-Cyclohexyl) Dihydrogen Phosphate; 2-Deoxy-2-Fluoroinositol 1,4,5-Trisphosphate; 2-F-Ip3
• Molecular Formula: C₆H₁₄FO₁₄P₃
• Molecular Weight: 422.09
• CAS Registry Number: 132489-75-9
• SMILES: O=[P](OC1C(O[P](=O)(O)O)C(O)C(F)C(O[P](=O)(O)O)C1O)(O)O
• InChI: 1S/C6H14FO14P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-6,8-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
• InChIKey: XYHAHQSGGXWYQM-UHFFFAOYSA-N

Properties

• Density: 2.172g/cm³ (Cal.)
• Boiling point: 861.973°C at 760 mmHg (Cal.)
• Flash point: 475.104°C (Cal.)