Bis[4-[3-Oxo-3-(2,4,6-Trihydroxyphenyl)Propyl]Phenyl] Hydrogen Phosphate
[CAS# 39201-04-2]

Identification

• Name: Bis[4-[3-Oxo-3-(2,4,6-Trihydroxyphenyl)Propyl]Phenyl] Hydrogen Phosphate
• Synonyms: Bis[4-[3-Keto-3-(2,4,6-Trihydroxyphenyl)Propyl]Phenyl] Hydrogen Phosphate; 1-Propanone, 3,3'-(Phosphinicobis(Oxy-4,1-Phenylene))Bis(1-(2,4,6-Trihydroxyphenyl)-; Diphloretin Phosphate
• Molecular Formula: C₃₀H₂₇O₁₂P
• Molecular Weight: 610.51
• CAS Registry Number: 39201-04-2
• SMILES: C1=C(O)C=C(O)C(=C1O)C(=O)CCC4=CC=C(O[P](OC3=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C3)(=O)O)C=C4
• InChI: 1S/C30H27O12P/c31-19-13-25(35)29(26(36)14-19)23(33)11-5-17-1-7-21(8-2-17)41-43(39,40)42-22-9-3-18(4-10-22)6-12-24(34)30-27(37)15-20(32)16-28(30)38/h1-4,7-10,13-16,31-32,35-38H,5-6,11-12H2,(H,39,40)
• InChIKey: NGZJJNCWIBSKQW-UHFFFAOYSA-N

Properties

• Density: 1.545g/cm³ (Cal.)
• Boiling point: 868.217°C at 760 mmHg (Cal.)
• Flash point: 478.881°C (Cal.)