ChemSpider 2D Image | Diethyl (4R,5R)-2-(3-ethoxy-4-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate | C17H22O8

Diethyl (4R,5R)-2-(3-ethoxy-4-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate

  • Molecular FormulaC17H22O8
  • Average mass354.352 Da
  • Monoisotopic mass354.131470 Da
  • ChemSpider ID24748696

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,5R)-2-(3-Éthoxy-4-hydroxyphényl)-1,3-dioxolane-4,5-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
1,3-Dioxolane-4,5-dicarboxylic acid, 2-(3-ethoxy-4-hydroxyphenyl)-, diethyl ester, (4R,5R)- [ACD/Index Name]
Diethyl (4R,5R)-2-(3-ethoxy-4-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate [ACD/IUPAC Name]
Diethyl-(4R,5R)-2-(3-ethoxy-4-hydroxyphenyl)-1,3-dioxolan-4,5-dicarboxylat [German] [ACD/IUPAC Name]
(4R.5R)-2-(3-Ethoxy-4-hydroxy-phenyl)-4.5-dicarboethoxy-1.3-dioxolane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 467.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 163.3±22.2 °C
Index of Refraction: 1.521
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.99
ACD/KOC (pH 5.5): 452.39
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.88
ACD/KOC (pH 7.4): 451.07
Polar Surface Area: 101 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 282.2±3.0 cm3

Click to predict properties on the Chemicalize site


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