[(1R,2S,3S,4S,5R,6S)-5-Fluoro-2,4-Dihydroxy-3,6-Diphosphonooxycyclohexyl] Dihydrogen Phosphate
[CAS# 144371-38-0]

Identification

• Name: [(1R,2S,3S,4S,5R,6S)-5-Fluoro-2,4-Dihydroxy-3,6-Diphosphonooxycyclohexyl] Dihydrogen Phosphate
• Synonyms: [(1R,2S,3S,4S,5R,6S)-5-Fluoro-2,4-Dihydroxy-3,6-Diphosphonooxy-Cyclohexyl] Dihydrogen Phosphate; 3-Deoxy-3-Fluoro-D-Myo-Inositol 1,4,5-Trisphosphate; 3-Deoxy-3-Fluoro-Ins(1,4,5)P3
• Molecular Formula: C₆H₁₄FO₁₄P₃
• Molecular Weight: 422.09
• CAS Registry Number: 144371-38-0
• SMILES: [C@H]1(O[P](=O)(O)O)[C@H](O[P](=O)(O)O)[C@H](F)[C@@H](O)[C@@H](O[P](=O)(O)O)[C@@H]1O
• InChI: 1S/C6H14FO14P3/c7-1-2(8)5(20-23(13,14)15)3(9)6(21-24(16,17)18)4(1)19-22(10,11)12/h1-6,8-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4-,5-,6-/m1/s1
• InChIKey: GCYJOKLPSZNRDA-UOTPTPDRSA-N

Properties

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