[Hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxy-Phosphoryl]Oxyphosphonic Acid
[CAS# 55780-80-8]

Identification

• Name: [Hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxy-Phosphoryl]Oxyphosphonic Acid
• Synonyms: D-Myo-Inositol, 1-(Trihydrogen Diphosphate); Inositol-1-Pyrophosphate; Myo-Inositol-1-Pyrophosphate
• Molecular Formula: C₆H₁₄O₁₂P₂
• Molecular Weight: 340.12
• CAS Registry Number: 55780-80-8
• SMILES: [C@@H]1(O)C(O[P](O[P](O)(O)=O)(O)=O)[C@@H](O)[C@@H](O)C(O)[C@H]1O
• InChI: 1S/C6H14O12P2/c7-1-2(8)4(10)6(5(11)3(1)9)17-20(15,16)18-19(12,13)14/h1-11H,(H,15,16)(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m0/s1
• InChIKey: ZMHWIKBKXLNABI-LXOASSSBSA-N

Properties

• Density: 2.157g/cm³ (Cal.)
• Boiling point: 622.565°C at 760 mmHg (Cal.)
• Flash point: 330.316°C (Cal.)