(3R,4S,5R)-3,4,5-Trihydroxy-6-Phosphonooxyhexanoic Acid
[CAS# 3006-63-1]

Identification

• Name: (3R,4S,5R)-3,4,5-Trihydroxy-6-Phosphonooxyhexanoic Acid
• Synonyms: (3R,4S,5R)-3,4,5-Trihydroxy-6-Phosphonooxy-Hexanoic Acid; 2-Deoxy-6-Phosphogluconate; D-Arabino-Hexonic Acid, 2-Deoxy-, 6-(Dihydrogen Phosphate)
• Molecular Formula: C₆H₁₃O₉P
• Molecular Weight: 260.14
• CAS Registry Number: 3006-63-1
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO[P](=O)(O)O)CC(=O)O
• InChI: 1S/C6H13O9P/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14/h3-4,6-8,11H,1-2H2,(H,9,10)(H2,12,13,14)/t3-,4-,6+/m1/s1
• InChIKey: LTHDIZOWAIGONP-KODRXGBYSA-N

Properties

• Density: 1.84g/cm³ (Cal.)
• Boiling point: 696.996°C at 760 mmHg (Cal.)
• Flash point: 375.33°C (Cal.)