Hexasodium [(1R,2R,3R,4R,5R,6S)-2-Fluoro-3,5-Dihydroxy-4,6-Diphosphonatooxy-Cyclohexyl] Phosphate
[CAS# 129365-68-0]

Identification

• Name: Hexasodium [(1R,2R,3R,4R,5R,6S)-2-Fluoro-3,5-Dihydroxy-4,6-Diphosphonatooxy-Cyclohexyl] Phosphate
• Synonyms: 3-Deoxy-3-fluoro-D-myo-inositol 1,4,5-trisphosphate . hexasodium salt; 3-F-Deoxy-Ins(1,4,5)P3. 6Na
• Molecular Formula: C₆H₈FNa₆O₁₄P₃
• Molecular Weight: 553.98
• CAS Registry Number: 129365-68-0
• SMILES: [C@H]1([C@H]([C@H]([C@H]([C@@H]([C@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])F)O)OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C6H14FO14P3.6Na/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);;;;;;/q;6*+1/p-6/t1-,2+,3-,4+,5+,6+;;;;;;/m1....../s1
• InChIKey: VFNWMLQRKXRHML-WWQPYMEFSA-H

Properties

• Refractive index: (Cal.)