(2,4,5-Trihydroxy-3,6-Diphosphonooxy-Cyclohexoxy)Phosphonic Acid
[CAS# 98102-63-7]

Identification

• Name: (2,4,5-Trihydroxy-3,6-Diphosphonooxy-Cyclohexoxy)Phosphonic Acid
• Synonyms: [(1R,2R,3R,4S,5S,6R)-2,4,5-Trihydroxy-3,6-Diphosphonooxy-Cyclohexyl] Dihydrogen Phosphate; 1,3,4-Itp; Inositol 1,3,4-Triphosphate
• Molecular Formula: C₆H₁₅O₁₅P₃
• Molecular Weight: 420.10
• CAS Registry Number: 98102-63-7
• SMILES: [C@H]1(O[P](=O)(O)O)[C@H](O[P](=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O[P](=O)(O)O)[C@H]1O
• 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+/m0/s1
• InChIKey: MMWCIQZXVOZEGG-NCGNNJKGSA-N

Properties

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