[(3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-Oxohexyl] Dihydrogen Phosphate
[CAS# 2650-47-7]

Identification

• Name: [(3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-Oxohexyl] Dihydrogen Phosphate
• Synonyms: [(3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-Oxo-Hexyl] Dihydrogen Phosphate; [(3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-Keto-Hexyl] Dihydrogen Phosphate; 1-O-Phosphono-D-Sorbose
• Molecular Formula: C₆H₁₃O₉P
• Molecular Weight: 260.14
• CAS Registry Number: 2650-47-7
• SMILES: [C@@H](O)([C@@H](O)[C@H](O)CO)C(CO[P](=O)(O)O)=O
• InChI: 1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5+,6+/m1/s1
• InChIKey: ZKLLSNQJRLJIGT-PYWDMBMJSA-N

Properties

• Density: 1.84g/cm³ (Cal.)
• Boiling point: 692.451°C at 760 mmHg (Cal.)
• Flash point: 372.581°C (Cal.)