[(1R,2S,4R,5S)-2,3,4,6-Tetrahydroxy-5-Phosphonooxycyclohexyl] Dihydrogen Phosphate
[CAS# 103597-56-4]

Identification

• Name: [(1R,2S,4R,5S)-2,3,4,6-Tetrahydroxy-5-Phosphonooxycyclohexyl] Dihydrogen Phosphate
• Synonyms: [(1R,2S,4R,5S)-2,3,4,6-Tetrahydroxy-5-Phosphonooxy-Cyclohexyl] Dihydrogen Phosphate; Chebi:18225; Myo-Inositol 1,3-Bis(Dihydrogen Phosphate)
• Molecular Formula: C₆H₁₄O₁₂P₂
• Molecular Weight: 340.12
• CAS Registry Number: 103597-56-4
• SMILES: [C@H]1(O[P](O)(O)=O)C(O)[C@@H](O[P](O)(O)=O)[C@H](O)C(O)[C@@H]1O
• InChI: 1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1?,2-,3+,4?,5+,6-
• InChIKey: PUVHMWJJTITUGO-WJPCITMWSA-N

Properties

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