3,5,6-Trihydroxy-1,2,4-cyclohexanetriyl tris[dihydrogen (phosphate)]
[CAS# 93133-76-7]

Identification

• Name: 3,5,6-Trihydroxy-1,2,4-cyclohexanetriyl tris[dihydrogen (phosphate)]
• Synonyms: {[2,4,5-trihydroxy-3,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid; 2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl dihydrogen phosphate; D-myo-Inositol 1,3,4-tris-phosphate ammonium salt
• Molecular Formula: C₆H₁₅O₁₅P₃
• Molecular Weight: 420.10
• CAS Registry Number: 93133-76-7
• SMILES: O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O
• InChI: 1S/C6H15O15P3/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)
• InChIKey: MMWCIQZXVOZEGG-UHFFFAOYSA-N

Properties

• Density: 2.25g/cm³ (Cal.)
• Boiling point: 877.576°C at 760 mmHg (Cal.)
• Flash point: 484.541°C (Cal.)