(1R,2R,3R,4S,5S,6S)-3,6-Dihydroxy-1,2,4,5-Cyclohexanetetrayl Tetrakis[Dihydrogen (Phosphate)] Octaammoniate
[CAS# 142507-74-2]

Identification

• Name: (1R,2R,3R,4S,5S,6S)-3,6-Dihydroxy-1,2,4,5-Cyclohexanetetrayl Tetrakis[Dihydrogen (Phosphate)] Octaammoniate
• Synonyms: D-MYO-INOSITOL1,3,4,6-TETRAKISPHOSPHATE,OCTAAMMONIUMSALT; Ins(1,3,4,5)P4, NH4+; myo-Inositol 1,3,4,6-tetrakis-phosphate ammonium salt
• Molecular Formula: C₆H₄₀N₈O₁₈P₄
• Molecular Weight: 636.32
• CAS Registry Number: 142507-74-2
• SMILES: N.N.N.N.N.N.N.N.O=P(O)(O)O[C@H]1[C@H](OP(O)(O)=O)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(=O)O)[C@@H]1O
• InChI: 1S/C6H16O18P4.8H3N/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14;;;;;;;;/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);8*1H3/t1-,2+,3-,4+,5-,6+
• InChIKey: KYJQGWXFJWPHKE-FZQXMUNHSA-N

Properties

• Boiling point: 1168°C at 760 mmHg (Cal.)
• Flash point: 660.2°C (Cal.)
• Refractive index: (Cal.)