ChemSpider 2D Image | 2-(4-{6-Methoxy-7-[2-(2-methoxyacetoxy)acetoxy]-4-oxo-4H-chromen-3-yl}phenoxy)-2-oxoethyl methoxyacetate | C26H24O13

2-(4-{6-Methoxy-7-[2-(2-methoxyacetoxy)acetoxy]-4-oxo-4H-chromen-3-yl}phenoxy)-2-oxoethyl methoxyacetate

  • Molecular FormulaC26H24O13
  • Average mass544.461 Da
  • Monoisotopic mass544.121704 Da
  • ChemSpider ID57259877

More details:

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

2-(4-{6-Methoxy-7-[2-(2-methoxyacetoxy)acetoxy]-4-oxo-4H-chromen-3-yl}phenoxy)-2-oxoethyl methoxyacetate [ACD/IUPAC Name]
2-(4-{6-Methoxy-7-[2-(2-methoxyacetoxy)acetoxy]-4-oxo-4H-chromen-3-yl}phenoxy)-2-oxoethyl-methoxyacetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[(2-methoxyacetyl)oxy]-, 4-[6-methoxy-7-[[2-[(2-methoxyacetyl)oxy]acetyl]oxy]-4-oxo-4H-1-benzopyran-3-yl]phenyl ester [ACD/Index Name]
Méthoxyacétate de 2-(4-{6-méthoxy-7-[2-(2-méthoxyacétoxy)acétoxy]-4-oxo-4H-chromén-3-yl}phénoxy)-2-oxoéthyle [French] [ACD/IUPAC Name]
[2-[4-[6-METHOXY-7-[2-(2-METHOXYACETYL)OXYACETYL]OXY-4-OXO-CHROMEN-3-YL]PHENOXY]-2-OXO-ETHYL]-2-METHOXYACETATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 693.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 293.6±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.72
ACD/KOC (pH 5.5): 545.30
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.72
ACD/KOC (pH 7.4): 545.30
Polar Surface Area: 159 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 397.3±3.0 cm3

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