(4R,5S,6R,7R)-5,6,7,8-Tetrahydroxy-2-Oxo-4-Phosphonooxyoctanoic Acid
[CAS# 143651-48-3]

Identification

• Name: (4R,5S,6R,7R)-5,6,7,8-Tetrahydroxy-2-Oxo-4-Phosphonooxyoctanoic Acid
• Synonyms: (4R,5S,6R,7R)-5,6,7,8-Tetrahydroxy-2-Oxo-4-Phosphonooxy-Octanoic Acid; (4R,5S,6R,7R)-5,6,7,8-Tetrahydroxy-2-Keto-4-Phosphonooxy-Caprylic Acid; 3-Deoxy-2-Octulosonate-4-Phosphate
• Molecular Formula: C₈H₁₅O₁₁P
• Molecular Weight: 318.17
• CAS Registry Number: 143651-48-3
• SMILES: [C@H]([C@@H](O)[C@H](O)[C@H](O)CO)(CC(C(=O)O)=O)O[P](=O)(O)O
• InChI: 1S/C8H15O11P/c9-2-4(11)6(12)7(13)5(19-20(16,17)18)1-3(10)8(14)15/h4-7,9,11-13H,1-2H2,(H,14,15)(H2,16,17,18)/t4-,5-,6-,7-/m1/s1
• InChIKey: UTNZDUXOWSLJKE-DBRKOABJSA-N

Properties

• Density: 1.878g/cm³ (Cal.)
• Boiling point: 729.479°C at 760 mmHg (Cal.)
• Flash point: 394.975°C (Cal.)