ChemSpider 2D Image | (2Z)-2-{2-Hydroxy-1-[(2R,3S)-3-methyl-5-oxotetrahydro-2-furanyl]ethylidene}-4-methoxy-1-benzofuran-3(2H)-one | C16H16O6

(2Z)-2-{2-Hydroxy-1-[(2R,3S)-3-methyl-5-oxotetrahydro-2-furanyl]ethylidene}-4-methoxy-1-benzofuran-3(2H)-one

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID78436638

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2Z)-2-{2-Hydroxy-1-[(2R,3S)-3-methyl-5-oxotetrahydro-2-furanyl]ethyliden}-4-methoxy-1-benzofuran-3(2H)-on [German] [ACD/IUPAC Name]
(2Z)-2-{2-Hydroxy-1-[(2R,3S)-3-methyl-5-oxotetrahydro-2-furanyl]ethylidene}-4-methoxy-1-benzofuran-3(2H)-one [ACD/IUPAC Name]
(2Z)-2-{2-Hydroxy-1-[(2R,3S)-3-méthyl-5-oxotétrahydro-2-furanyl]éthylidène}-4-méthoxy-1-benzofuran-3(2H)-one [French] [ACD/IUPAC Name]
3(2H)-Benzofuranone, 2-[2-hydroxy-1-[(2R,3S)-tetrahydro-3-methyl-5-oxo-2-furanyl]ethylidene]-4-methoxy-, (2Z)- [ACD/Index Name]
Photinide Y

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

Density: 1.4±0.1 g/cm3
Boiling Point: 572.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 216.3±23.6 °C
Index of Refraction: 1.596
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.83
ACD/KOC (pH 5.5): 90.96
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.83
ACD/KOC (pH 7.4): 90.96
Polar Surface Area: 82 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 221.8±3.0 cm3

Click to predict properties on the Chemicalize site


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