ChemSpider 2D Image | 3-Ethyl 2-(2-methyl-2-propanyl) (2R,3R)-2-[(1R)-1-chloro-2-phenylethyl]-5-oxotetrahydro-2,3-furandicarboxylate (non-preferred name) | C20H25ClO6

3-Ethyl 2-(2-methyl-2-propanyl) (2R,3R)-2-[(1R)-1-chloro-2-phenylethyl]-5-oxotetrahydro-2,3-furandicarboxylate (non-preferred name)

  • Molecular FormulaC20H25ClO6
  • Average mass396.862 Da
  • Monoisotopic mass396.133972 Da
  • ChemSpider ID74178035

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R)-2-[(1R)-1-Chloro-2-phényléthyl]-5-oxotétrahydro-2,3-furanedicarboxylate de 3-éthyle et de 2-(2-méthyl-2-propanyle) (non-preferred name) [French] [ACD/IUPAC Name]
3-Ethyl 2-(2-methyl-2-propanyl) (2R,3R)-2-[(1R)-1-chloro-2-phenylethyl]-5-oxotetrahydro-2,3-furandicarboxylate (non-preferred name) [ACD/IUPAC Name]
3-Ethyl-2-(2-methyl-2-propanyl)-(2R,3R)-2-[(1R)-1-chlor-2-phenylethyl]-5-oxotetrahydro-2,3-furandicarboxylat (non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 520.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 181.8±29.1 °C
Index of Refraction: 1.524
Molar Refractivity: 99.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 284.04
ACD/KOC (pH 5.5): 1984.87
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 284.04
ACD/KOC (pH 7.4): 1984.87
Polar Surface Area: 79 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 323.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement