(2,3,5,6-Tetrahydroxy-4-Phosphonooxy-Cyclohexoxy)Phosphonic Acid
[CAS# 47055-78-7]

Identification

• Name: (2,3,5,6-Tetrahydroxy-4-Phosphonooxy-Cyclohexoxy)Phosphonic Acid
• Synonyms: [(2S,3R,5R,6R)-2,3,5,6-Tetrahydroxy-4-Phosphonooxy-Cyclohexyl] Dihydrogen Phosphate; D-Myo-Inositol-1,4-Bisphosphate; 1D-Myo-Inositol 1,4-Bis(Dihydrogen Phosphate)
• Molecular Formula: C₆H₁₄O₁₂P₂
• Molecular Weight: 340.12
• CAS Registry Number: 47055-78-7
• SMILES: [C@@H]1(O)C(O[P](O)(O)=O)[C@H](O)[C@@H](O)C(O[P](O)(O)=O)[C@@H]1O
• InChI: 1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5?,6?/m1/s1
• InChIKey: PELZSPZCXGTUMR-MBEOBJKWSA-N

Properties

• Density: 2.157g/cm³ (Cal.)
• Boiling point: 725.897°C at 760 mmHg (Cal.)
• Flash point: 392.808°C (Cal.)