ChemSpider 2D Image | (2E)-5-[(5S)-5-(2,5-Dihydroxyphenyl)-2-oxo-2,5-dihydro-3-furanyl]-2-methyl-2-pentenal | C16H16O5

(2E)-5-[(5S)-5-(2,5-Dihydroxyphenyl)-2-oxo-2,5-dihydro-3-furanyl]-2-methyl-2-pentenal

  • Molecular FormulaC16H16O5
  • Average mass288.295 Da
  • Monoisotopic mass288.099762 Da
  • ChemSpider ID78441506

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-5-[(5S)-5-(2,5-Dihydroxyphenyl)-2-oxo-2,5-dihydro-3-furanyl]-2-methyl-2-pentenal [German] [ACD/IUPAC Name]
(2E)-5-[(5S)-5-(2,5-Dihydroxyphenyl)-2-oxo-2,5-dihydro-3-furanyl]-2-methyl-2-pentenal [ACD/IUPAC Name]
(2E)-5-[(5S)-5-(2,5-Dihydroxyphényl)-2-oxo-2,5-dihydro-3-furanyl]-2-méthyl-2-penténal [French] [ACD/IUPAC Name]
2-Pentenal, 5-[(5S)-5-(2,5-dihydroxyphenyl)-2,5-dihydro-2-oxo-3-furanyl]-2-methyl-, (2E)- [ACD/Index Name]
(-)-chizhine E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 198.4±23.6 °C
Index of Refraction: 1.597
Molar Refractivity: 75.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 81.74
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 81.17
Polar Surface Area: 84 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 222.9±3.0 cm3

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