ChemSpider 2D Image | 1,5-Anhydro-1-[4-(3,4-dimethoxyphenyl)-6-ethoxy-5-(ethoxycarbonyl)-2,6-dioxohexyl]hexitol | C25H36O12

1,5-Anhydro-1-[4-(3,4-dimethoxyphenyl)-6-ethoxy-5-(ethoxycarbonyl)-2,6-dioxohexyl]hexitol

  • Molecular FormulaC25H36O12
  • Average mass528.546 Da
  • Monoisotopic mass528.220703 Da
  • ChemSpider ID24627734

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1,5-Anhydro-1-[4-(3,4-dimethoxyphenyl)-6-ethoxy-5-(ethoxycarbonyl)-2,6-dioxohexyl]hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-[4-(3,4-dimethoxyphenyl)-6-ethoxy-5-(ethoxycarbonyl)-2,6-dioxohexyl]hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-[4-(3,4-diméthoxyphényl)-6-éthoxy-5-(éthoxycarbonyl)-2,6-dioxohexyl]hexitol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 228.8±26.4 °C
Index of Refraction: 1.542
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 70.97
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 70.97
Polar Surface Area: 178 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 407.1±3.0 cm3

Click to predict properties on the Chemicalize site


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