[(1R,2S,3S,4R,5S,6R)-3,4-Dihydroxy-2,5,6-Triphosphonooxycyclohexyl] Dihydrogen Phosphate
[CAS# 112791-61-4]

Identification

• Name: [(1R,2S,3S,4R,5S,6R)-3,4-Dihydroxy-2,5,6-Triphosphonooxycyclohexyl] Dihydrogen Phosphate
• Synonyms: [(1R,2S,3S,4R,5S,6R)-3,4-Dihydroxy-2,5,6-Triphosphonooxy-Cyclohexyl] Dihydrogen Phosphate; Inositol-3,4,5,6-Tetrakisphosphate; Myo-Inositol-3,4,5,6-Tetrakisphosphate
• Molecular Formula: C₆H₁₆O₁₈P₄
• Molecular Weight: 500.08
• CAS Registry Number: 112791-61-4
• SMILES: [C@H]1(O[P](=O)(O)O)[C@H](O[P](=O)(O)O)[C@@H](O[P](=O)(O)O)[C@H](O)[C@H](O)[C@@H]1O[P](=O)(O)O
• InChI: 1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1
• InChIKey: MRVYFOANPDTYBY-UZAAGFTCSA-N

Properties

• Density: 2.32g/cm³ (Cal.)
• Boiling point: 978.079°C at 760 mmHg (Cal.)
• Flash point: 545.323°C (Cal.)