ChemSpider 2D Image | 5-{4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenoxy}-5-oxopentanoic acid | C26H26O9

5-{4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenoxy}-5-oxopentanoic acid

  • Molecular FormulaC26H26O9
  • Average mass482.479 Da
  • Monoisotopic mass482.157684 Da
  • ChemSpider ID75535252

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5-{4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenoxy}-5-oxopentanoic acid [ACD/IUPAC Name]
5-{4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenoxy}-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-{4-[(1E,6E)-7-(4-hydroxy-3-méthoxyphényl)-3,5-dioxo-1,6-heptadién-1-yl]-2-méthoxyphénoxy}-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, mono[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl] ester [ACD/Index Name]
1000878-09-0 [RN]
5-(4-((1E, 6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1, 6-dien-1-yl)-2-methoxyphenoxy)-5-oxopentanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 711.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 238.4±26.4 °C
Index of Refraction: 1.612
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 8.98
ACD/KOC (pH 5.5): 89.25
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 136 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 371.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement