ChemSpider 2D Image | Ethyl {7-hydroxy-2-[(1E,4S)-4-hydroxy-1-penten-1-yl]-4-oxo-4H-chromen-5-yl}acetate | C18H20O6

Ethyl {7-hydroxy-2-[(1E,4S)-4-hydroxy-1-penten-1-yl]-4-oxo-4H-chromen-5-yl}acetate

  • Molecular FormulaC18H20O6
  • Average mass332.348 Da
  • Monoisotopic mass332.125977 Da
  • ChemSpider ID35516677

  • 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

{7-Hydroxy-2-[(1E,4S)-4-hydroxy-1-pentén-1-yl]-4-oxo-4H-chromén-5-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-5-acetic acid, 7-hydroxy-2-[(1E,4S)-4-hydroxy-1-penten-1-yl]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl {7-hydroxy-2-[(1E,4S)-4-hydroxy-1-penten-1-yl]-4-oxo-4H-chromen-5-yl}acetate [ACD/IUPAC Name]
Ethyl-{7-hydroxy-2-[(1E,4S)-4-hydroxy-1-penten-1-yl]-4-oxo-4H-chromen-5-yl}acetat [German] [ACD/IUPAC Name]
Corynechromone J

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 198.0±23.6 °C
Index of Refraction: 1.629
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.20
ACD/KOC (pH 5.5): 229.41
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 3.10
ACD/KOC (pH 7.4): 50.08
Polar Surface Area: 93 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 249.6±3.0 cm3

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