ChemSpider 2D Image | (2R,3R,5R,6R)-5,6-Dimethoxy-3-(methoxycarbonyl)-5,6-dimethyl-1,4-dioxane-2-carboxylic acid | C11H18O8

(2R,3R,5R,6R)-5,6-Dimethoxy-3-(methoxycarbonyl)-5,6-dimethyl-1,4-dioxane-2-carboxylic acid

  • Molecular FormulaC11H18O8
  • Average mass278.256 Da
  • Monoisotopic mass278.100159 Da
  • ChemSpider ID26568234

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,5R,6R)-5,6-Dimethoxy-3-(methoxycarbonyl)-5,6-dimethyl-1,4-dioxan-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,3R,5R,6R)-5,6-Dimethoxy-3-(methoxycarbonyl)-5,6-dimethyl-1,4-dioxane-2-carboxylic acid [ACD/IUPAC Name]
1,4-Dioxane-2,3-dicarboxylic acid, 5,6-dimethoxy-5,6-dimethyl-, monomethyl ester, (2R,3R,5R,6R)- [ACD/Index Name]
Acide (2R,3R,5R,6R)-5,6-diméthoxy-3-(méthoxycarbonyl)-5,6-diméthyl-1,4-dioxane-2-carboxylique [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: 367.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.5±6.0 kJ/mol
Flash Point: 134.1±21.4 °C
Index of Refraction: 1.479
Molar Refractivity: 61.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 216.5±5.0 cm3

Click to predict properties on the Chemicalize site


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