ChemSpider 2D Image | (22S,25R,26R)-26-Hydroxy-22,26-epoxylanost-8-en-3-one | C30H48O3

(22S,25R,26R)-26-Hydroxy-22,26-epoxylanost-8-en-3-one

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID78437441

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(22S,25R,26R)-26-Hydroxy-22,26-epoxylanost-8-en-3-on [German] [ACD/IUPAC Name]
(22S,25R,26R)-26-Hydroxy-22,26-epoxylanost-8-en-3-one [ACD/IUPAC Name]
(22S,25R,26R)-26-Hydroxy-22,26-époxylanost-8-én-3-one [French] [ACD/IUPAC Name]
Lanost-8-en-3-one, 22,26-epoxy-26-hydroxy-, (22S,25R,26R)- [ACD/Index Name]
Astraeusin K

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

Density: 1.1±0.1 g/cm3
Boiling Point: 550.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.4±6.0 kJ/mol
Flash Point: 170.1±23.6 °C
Index of Refraction: 1.542
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51683.70
ACD/KOC (pH 5.5): 82300.13
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51683.65
ACD/KOC (pH 7.4): 82300.04
Polar Surface Area: 47 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 423.9±5.0 cm3

Click to predict properties on the Chemicalize site


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