ChemSpider 2D Image | 2-[(3R,4aR,9aR)-4a,7-Dihydroxy-4,9-dioxo-2,3,4,4a,9,9a-hexahydro-1H-xanthen-3-yl]acrylaldehyde | C16H14O6

2-[(3R,4aR,9aR)-4a,7-Dihydroxy-4,9-dioxo-2,3,4,4a,9,9a-hexahydro-1H-xanthen-3-yl]acrylaldehyde

  • Molecular FormulaC16H14O6
  • Average mass302.279 Da
  • Monoisotopic mass302.079041 Da
  • ChemSpider ID78442733

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Xanthene-3-acetaldehyde, 2,3,4,4a,9,9a-hexahydro-4a,7-dihydroxy-α-methylene-4,9-dioxo-, (3R,4aR,9aR)- [ACD/Index Name]
2-[(3R,4aR,9aR)-4a,7-Dihydroxy-4,9-dioxo-2,3,4,4a,9,9a-hexahydro-1H-xanthen-3-yl]acrylaldehyd [German] [ACD/IUPAC Name]
2-[(3R,4aR,9aR)-4a,7-Dihydroxy-4,9-dioxo-2,3,4,4a,9,9a-hexahydro-1H-xanthen-3-yl]acrylaldehyde [ACD/IUPAC Name]
2-[(3R,4aR,9aR)-4a,7-Dihydroxy-4,9-dioxo-2,3,4,4a,9,9a-hexahydro-1H-xanthén-3-yl]acrylaldéhyde [French] [ACD/IUPAC Name]
Ganoderma aldehyde

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

Density: 1.5±0.1 g/cm3
Boiling Point: 611.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 232.9±25.0 °C
Index of Refraction: 1.637
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.54
ACD/KOC (pH 5.5): 85.96
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.45
ACD/KOC (pH 7.4): 83.82
Polar Surface Area: 101 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 205.3±3.0 cm3

Click to predict properties on the Chemicalize site


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