Inositol 1,3,4,5,6-Pentakis-Phosphate
[CAS# 20298-95-7]

Identification

• Name: Inositol 1,3,4,5,6-Pentakis-Phosphate
• Synonyms: (4-Hydroxy-2,3,5,6-Tetraphosphonooxy-Cyclohexyl) Dihydrogen Phosphate; Myo-Inositol, Pentakis(Dihydrogen Phosphate); C15991
• Molecular Formula: C₆H₁₇O₂₁P₅
• Molecular Weight: 580.06
• CAS Registry Number: 20298-95-7 (25663-09-6)
• SMILES: O=[P](OC1C(C(C(O)C(C1O[P](O)(O)=O)O[P](O)(O)=O)O[P](O)(O)=O)O[P](O)(O)=O)(O)O
• InChI: 1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)
• InChIKey: CTPQAXVNYGZUAJ-UHFFFAOYSA-N

Properties

• Density: 2.375g/cm³ (Cal.)
• Boiling point: 1106.1°C at 760 mmHg (Cal.)
• Flash point: 622.747°C (Cal.)