ChemSpider 2D Image | Ethyl 4-acetyl-2,5-anhydro-3-(4-bromophenyl)-3,4-dideoxy-5-methyl-L-erythro-pent-4-enonate | C16H17BrO4

Ethyl 4-acetyl-2,5-anhydro-3-(4-bromophenyl)-3,4-dideoxy-5-methyl-L-erythro-pent-4-enonate

  • Molecular FormulaC16H17BrO4
  • Average mass353.208 Da
  • Monoisotopic mass352.031006 Da
  • ChemSpider ID30658737

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Acétyl-2,5-anhydro-3-(4-bromophényl)-3,4-didésoxy-5-méthyl-L-érythro-pent-4-énonate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-acetyl-2,5-anhydro-3-(4-bromophenyl)-3,4-dideoxy-5-methyl-L-erythro-pent-4-enonate [ACD/IUPAC Name]
Ethyl-4-acetyl-2,5-anhydro-3-(4-bromphenyl)-3,4-didesoxy-5-methyl-L-erythro-pent-4-enonat [German] [ACD/IUPAC Name]
L-erythro-Pent-4-enonic acid, 4-acetyl-2,5-anhydro-3-(4-bromophenyl)-3,4-dideoxy-5-C-methyl-, ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 434.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.3±28.7 °C
Index of Refraction: 1.551
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 354.99
ACD/KOC (pH 5.5): 2328.35
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 354.99
ACD/KOC (pH 7.4): 2328.35
Polar Surface Area: 53 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 254.8±3.0 cm3

Click to predict properties on the Chemicalize site


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