[(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphonic Acid
[CAS# 15421-51-9]

Identification

• Name: [(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl]Oxyphosphonic Acid
• Synonyms: D-Myo-Inositol, 1-(Dihydrogen Phosphate); Inositol 1-Monophosphate; Myoinositol 1-Phosphate
• Molecular Formula: C₆H₁₃O₉P
• Molecular Weight: 260.14
• CAS Registry Number: 15421-51-9 (2831-74-5)
• SMILES: [C@H]1(O)C(O[P](O)(O)=O)[C@H](O)[C@H](O)C(O)[C@@H]1O
• InChI: 1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m1/s1
• InChIKey: INAPMGSXUVUWAF-GCVPSNMTSA-N

Properties

• Density: 2.027g/cm³ (Cal.)
• Boiling point: 517.442°C at 760 mmHg (Cal.)
• Flash point: 266.74°C (Cal.)