5-[(1-Carboxyvinyl)oxy]-3,4-dihydroxy-1-Cyclohexene-1-carboxylic acid 3-phosphate
[CAS# 27840-48-8]

Identification

• Name: 5-[(1-Carboxyvinyl)oxy]-3,4-dihydroxy-1-Cyclohexene-1-carboxylic acid 3-phosphate
• Synonyms: 5-(1-Carboxyethenoxy)-4-Hydroxy-3-Phosphonooxy-Cyclohexene-1-Carboxylic Acid; 5-(1-Carboxyethenoxy)-4-Hydroxy-3-Phosphonooxy-1-Cyclohexenecarboxylic Acid; 4-Hydroxy-5-(3-Hydroxy-3-Oxo-Prop-1-En-2-Yl)Oxy-3-Phosphonooxy-Cyclohexene-1-Carboxylic Acid
• Molecular Formula: C₁₀H₁₃O₁₀P
• Molecular Weight: 324.18
• CAS Registry Number: 27840-48-8
• SMILES: O=C(C1=CC(C(C(C1)OC(=C)C(O)=O)O)O[P](=O)(O)O)O
• InChI: 1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)
• InChIKey: QUTYKIXIUDQOLK-UHFFFAOYSA-N

Properties

• Density: 1.75g/cm³ (Cal.)
• Boiling point: 723.973°C at 760 mmHg (Cal.)
• Flash point: 391.645°C (Cal.)