ChemSpider 2D Image | Ethyl 3,6-anhydro-4,5-dideoxy-6-(2-ethoxy-1-iodo-2-oxoethyl)-D-threo-hexonate | C12H19IO6

Ethyl 3,6-anhydro-4,5-dideoxy-6-(2-ethoxy-1-iodo-2-oxoethyl)-D-threo-hexonate

  • Molecular FormulaC12H19IO6
  • Average mass386.180 Da
  • Monoisotopic mass386.022614 Da
  • ChemSpider ID30992556

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 431.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±6.0 kJ/mol
Flash Point: 214.9±21.8 °C
Index of Refraction: 1.538
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.19
ACD/KOC (pH 5.5): 183.36
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.19
ACD/KOC (pH 7.4): 183.36
Polar Surface Area: 82 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 240.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement