Inositol 1,4,6-Trisphosphate
[CAS# 114418-85-8]

Identification

• Name: Inositol 1,4,6-Trisphosphate
• Synonyms: [(1S,2R,3S,4R,5S,6S)-2,4,5-Trihydroxy-3,6-Diphosphonooxy-Cyclohexyl] Dihydrogen Phosphate; D-Myo-Inositol, 1,4,6-Tri(Dihydrogen Phosphate); Inositol 1,4,6-Trisphosphate
• Molecular Formula: C₆H₁₅O₁₅P₃
• Molecular Weight: 420.10
• CAS Registry Number: 114418-85-8
• SMILES: [C@@H]1([C@@H](O)[C@@H](O)[C@@H]([C@@H](O)[C@@H]1O[P](=O)(O)O)O[P](=O)(O)O)O[P](=O)(O)O
• 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)/t1-,2+,3-,4+,5+,6+/m1/s1
• InChIKey: MMWCIQZXVOZEGG-GSRZWBRNSA-N

Properties

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