Hexasodium [(1R,2S,3R,4R,5S,6R)-2,3,5-Trihydroxy-4,6-Diphosphonatooxy-Cyclohexyl] Phosphate
[CAS# 108340-81-4]

Identification

• Name: Hexasodium [(1R,2S,3R,4R,5S,6R)-2,3,5-Trihydroxy-4,6-Diphosphonatooxy-Cyclohexyl] Phosphate
• Synonyms: D-MYO-INOSITOL1,4,5-TRISPHOSPHATEHEXASODIUMSALT; Ins(1,4,5)P3.6 Na
• Molecular Formula: C₆H₉Na₆O₁₅P₃
• Molecular Weight: 551.99
• CAS Registry Number: 108340-81-4
• SMILES: [C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C6H15O15P3.6Na/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;;;;;;/h1-9H,(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: MLMBGBMAFNSCOW-PPKFVSOLSA-H

Properties

• Refractive index: (Cal.)