ChemSpider 2D Image | Ethyl 3,6-anhydro-4,5-dideoxy-6-(2-ethoxy-2-oxoethyl)-D-erythro-hexonate | C12H20O6

Ethyl 3,6-anhydro-4,5-dideoxy-6-(2-ethoxy-2-oxoethyl)-D-erythro-hexonate

  • Molecular FormulaC12H20O6
  • Average mass260.284 Da
  • Monoisotopic mass260.125977 Da
  • ChemSpider ID30992554
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

3,6-Anhydro-4,5-didésoxy-6-(2-éthoxy-2-oxoéthyl)-D-érythro-hexonate d'éthyle [French] [ACD/IUPAC Name]
D-erythro-Octaric acid, 3,6-anhydro-4,5,7-trideoxy-, 1,8-diethyl ester, (6ξ)- [ACD/Index Name]
Ethyl 3,6-anhydro-4,5-dideoxy-6-(2-ethoxy-2-oxoethyl)-D-erythro-hexonate [ACD/IUPAC Name]
Ethyl-3,6-anhydro-4,5-didesoxy-6-(2-ethoxy-2-oxoethyl)-D-erythro-hexonat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 357.5±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.8±6.0 kJ/mol
Flash Point: 128.8±13.1 °C
Index of Refraction: 1.469
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.92
ACD/KOC (pH 5.5): 75.04
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.92
ACD/KOC (pH 7.4): 75.04
Polar Surface Area: 82 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 223.4±3.0 cm3

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