ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl palmitate | C31H40O8

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl palmitate

  • Molecular FormulaC31H40O8
  • Average mass540.644 Da
  • Monoisotopic mass540.272339 Da
  • ChemSpider ID4588048

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl palmitate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl ester [ACD/Index Name]
Palmitate de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Quercetin Analogs

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

AIDS114012 [DBID]
AIDS-114012 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 715.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 227.7±26.4 °C
Index of Refraction: 1.605
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.68
ACD/LogD (pH 5.5): 9.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1563735.63
ACD/LogD (pH 7.4): 7.27
ACD/BCF (pH 7.4): 68820.23
ACD/KOC (pH 7.4): 28908.04
Polar Surface Area: 134 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 425.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement