[(1R,2S,3R,5S,6R)-2,5-Dihydroxy-3,6-Diphosphonooxycyclohexyl] Dihydrogen Phosphate
[CAS# 124501-87-7]

Identification

• Name: [(1R,2S,3R,5S,6R)-2,5-Dihydroxy-3,6-Diphosphonooxycyclohexyl] Dihydrogen Phosphate
• Synonyms: [(1R,2S,3R,5S,6R)-2,5-Dihydroxy-3,6-Diphosphonooxy-Cyclohexyl] Dihydrogen Phosphate; 6-Deoxy-Ins(1,4,5)P3; 6-Deoxyinositol 1,4,5-Triphosphate
• Molecular Formula: C₆H₁₅O₁₄P₃
• Molecular Weight: 404.10
• CAS Registry Number: 124501-87-7
• SMILES: [C@@H]1(C[C@H]([C@H](O)[C@@H](O[P](=O)(O)O)[C@@H]1O[P](=O)(O)O)O[P](=O)(O)O)O
• InChI: 1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3+,4-,5+,6+/m0/s1
• InChIKey: GHYKQXTYUPPQMF-DSOBHZJASA-N

Properties

• Density: 2.141g/cm³ (Cal.)
• Boiling point: 853.523°C at 760 mmHg (Cal.)
• Flash point: 469.994°C (Cal.)