[(3S,4R,5R)-1,4,5,6-Tetrahydroxy-2-Oxohexan-3-Yl] Dihydrogen Phosphate
[CAS# 126247-74-3]

Identification

• Name: [(3S,4R,5R)-1,4,5,6-Tetrahydroxy-2-Oxohexan-3-Yl] Dihydrogen Phosphate
• Synonyms: [(1S,2R,3R)-2,3,4-Trihydroxy-1-(2-Hydroxyacetyl)Butyl] Dihydrogen Phosphate; [(1S,2R,3R)-2,3,4-Trihydroxy-1-(2-Hydroxy-1-Oxoethyl)Butyl] Dihydrogen Phosphate; [(1S,2R,3R)-1-Glycoloyl-2,3,4-Trihydroxy-Butyl] Dihydrogen Phosphate
• Molecular Formula: C₆H₁₃O₉P
• Molecular Weight: 260.14
• CAS Registry Number: 126247-74-3
• SMILES: [C@H]([C@H](O)[C@H](O)CO)(C(CO)=O)O[P](=O)(O)O
• InChI: 1S/C6H13O9P/c7-1-3(9)5(11)6(4(10)2-8)15-16(12,13)14/h3,5-9,11H,1-2H2,(H2,12,13,14)/t3-,5-,6-/m1/s1
• InChIKey: NFKVQPCCMLVBGQ-UYFOZJQFSA-N

Properties

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