ChemSpider 2D Image | (6S,6aR,8S,9R,10R,10aR)-9-Hydroxy-4-(4-hydroxyphenyl)-6,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[4,3-c]pyridin-1-one | C21H25NO4

(6S,6aR,8S,9R,10R,10aR)-9-Hydroxy-4-(4-hydroxyphenyl)-6,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[4,3-c]pyridin-1-one

  • Molecular FormulaC21H25NO4
  • Average mass355.427 Da
  • Monoisotopic mass355.178345 Da
  • ChemSpider ID35517109

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6S,6aR,8S,9R,10R,10aR)-9-Hydroxy-4-(4-hydroxyphenyl)-6,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[4,3-c]pyridin-1-on [German] [ACD/IUPAC Name]
(6S,6aR,8S,9R,10R,10aR)-9-Hydroxy-4-(4-hydroxyphenyl)-6,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[4,3-c]pyridin-1-one [ACD/IUPAC Name]
(6S,6aR,8S,9R,10R,10aR)-9-Hydroxy-4-(4-hydroxyphényl)-6,8,10-triméthyl-2,6,6a,7,8,9,10,10a-octahydro-1H-isochroméno[4,3-c]pyridin-1-one [French] [ACD/IUPAC Name]
1H-[2]Benzopyrano[4,3-c]pyridin-1-one, 2,6,6a,7,8,9,10,10a-octahydro-9-hydroxy-4-(4-hydroxyphenyl)-6,8,10-trimethyl-, (6S,6aR,8S,9R,10R,10aR)- [ACD/Index Name]
Chaunolidone A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 302.0±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 97.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.00
ACD/KOC (pH 5.5): 1499.66
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 191.78
ACD/KOC (pH 7.4): 1497.97
Polar Surface Area: 79 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 273.9±5.0 cm3

Click to predict properties on the Chemicalize site


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