[(1R,3S,4S,6R)-2,5-Dihydroxy-3,4,6-Triphosphonooxycyclohexyl] Dihydrogen Phosphate
[CAS# 110298-84-5]

Identification

• Name: [(1R,3S,4S,6R)-2,5-Dihydroxy-3,4,6-Triphosphonooxycyclohexyl] Dihydrogen Phosphate
• Synonyms: [(1R,3S,4S,6R)-2,5-Dihydroxy-3,4,6-Triphosphonooxy-Cyclohexyl] Dihydrogen Phosphate; Myo-Inositol 1,3,4,6-Tetrakisphosphate; Myo-Inositol, 1,3,4,6-Tetrakis(Dihydrogen Phosphate)
• Molecular Formula: C₆H₁₆O₁₈P₄
• Molecular Weight: 500.08
• CAS Registry Number: 110298-84-5
• SMILES: [C@@H]1(O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)C(O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)C1O
• InChI: 1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1?,2?,3-,4+,5-,6+
• InChIKey: ZAWIXNGTTZTBKV-IUHIMVDQSA-N

Properties

• Density: 2.32g/cm³ (Cal.)
• Boiling point: 1015.572°C at 760 mmHg (Cal.)
• Flash point: 567.997°C (Cal.)