2,2-Difluoro-2-Deoxy-Inositol 1,4,5-Trisphosphate
[CAS# 132488-75-6]

Identification

• Name: 2,2-Difluoro-2-Deoxy-Inositol 1,4,5-Trisphosphate
• Synonyms: (4,4-Difluoro-2,5-Dihydroxy-3,6-Diphosphonooxy-Cyclohexyl) Dihydrogen Phosphate; 2,2-Difluoro-2-Deoxy-Inositol 1,4,5-Trisphosphate; 2,2-F-Ip3
• Molecular Formula: C₆H₁₃F₂O₁₄P₃
• Molecular Weight: 440.08
• CAS Registry Number: 132488-75-6
• SMILES: O=[P](OC1C(F)(F)C(O)C(O[P](=O)(O)O)C(O[P](=O)(O)O)C1O)(O)O
• InChI: 1S/C6H13F2O14P3/c7-6(8)4(10)3(21-24(14,15)16)2(20-23(11,12)13)1(9)5(6)22-25(17,18)19/h1-5,9-10H,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)
• InChIKey: JEHSVQICCQDKLQ-UHFFFAOYSA-N

Properties

• Density: 2.21g/cm³ (Cal.)
• Boiling point: 849.008°C at 760 mmHg (Cal.)
• Flash point: 467.263°C (Cal.)