ChemSpider 2D Image | (4aS,9S,9aS)-4a-Hydroxy-9-(4-hydroxyphenyl)-3,4,4a,5,6,7,9,9a-octahydro-1H-xanthene-1,8(2H)-dione | C19H20O5

(4aS,9S,9aS)-4a-Hydroxy-9-(4-hydroxyphenyl)-3,4,4a,5,6,7,9,9a-octahydro-1H-xanthene-1,8(2H)-dione

  • Molecular FormulaC19H20O5
  • Average mass328.359 Da
  • Monoisotopic mass328.131073 Da
  • ChemSpider ID30657065

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,9S,9aS)-4a-Hydroxy-9-(4-hydroxyphenyl)-3,4,4a,5,6,7,9,9a-octahydro-1H-xanthen-1,8(2H)-dion [German] [ACD/IUPAC Name]
(4aS,9S,9aS)-4a-Hydroxy-9-(4-hydroxyphenyl)-3,4,4a,5,6,7,9,9a-octahydro-1H-xanthene-1,8(2H)-dione [ACD/IUPAC Name]
(4aS,9S,9aS)-4a-Hydroxy-9-(4-hydroxyphényl)-3,4,4a,5,6,7,9,9a-octahydro-1H-xanthène-1,8(2H)-dione [French] [ACD/IUPAC Name]
1H-Xanthene-1,8(2H)-dione, 3,4,4a,5,6,7,9,9a-octahydro-4a-hydroxy-9-(4-hydroxyphenyl)-, (4aS,9S,9aS)- [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: 590.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 217.3±23.6 °C
Index of Refraction: 1.643
Molar Refractivity: 85.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.59
ACD/KOC (pH 5.5): 162.29
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.55
ACD/KOC (pH 7.4): 161.52
Polar Surface Area: 84 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 235.7±5.0 cm3

Click to predict properties on the Chemicalize site


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