ChemSpider 2D Image | 1,5-Anhydro-1-[6-ethoxy-5-(ethoxycarbonyl)-2,6-dioxo-4-phenylhexyl]hexitol | C23H32O10

1,5-Anhydro-1-[6-ethoxy-5-(ethoxycarbonyl)-2,6-dioxo-4-phenylhexyl]hexitol

  • Molecular FormulaC23H32O10
  • Average mass468.494 Da
  • Monoisotopic mass468.199554 Da
  • ChemSpider ID24626042

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1,5-Anhydro-1-[6-ethoxy-5-(ethoxycarbonyl)-2,6-dioxo-4-phenylhexyl]hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-[6-ethoxy-5-(ethoxycarbonyl)-2,6-dioxo-4-phenylhexyl]hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-[6-éthoxy-5-(éthoxycarbonyl)-2,6-dioxo-4-phénylhexyl]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: 655.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 219.5±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.03
ACD/KOC (pH 5.5): 77.00
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 77.00
Polar Surface Area: 160 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 359.1±3.0 cm3

Click to predict properties on the Chemicalize site


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