ChemSpider 2D Image | (4R,4aS,6bR,8aS,10R,12bS,14aS)-10-Hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydro-3(2H)-picenone | C30H50O2

(4R,4aS,6bR,8aS,10R,12bS,14aS)-10-Hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydro-3(2H)-picenone

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID23283124

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(4R,4aS,6bR,8aS,10R,12bS,14aS)-10-Hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydro-3(2H)-picenon [German] [ACD/IUPAC Name]
(4R,4aS,6bR,8aS,10R,12bS,14aS)-10-Hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydro-3(2H)-picenone [ACD/IUPAC Name]
(4R,4aS,6bR,8aS,10R,12bS,14aS)-10-Hydroxy-4,4a,6b,8a,11,11,12b,14a-octaméthylicosahydro-3(2H)-picénone [French] [ACD/IUPAC Name]
(4R,4aS,6bR,8aS,10R,12bS,14aS)-10-hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydropicen-3(2H)-one
3(2H)-Picenone, eicosahydro-10-hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethyl-, (4R,4aS,6bR,8aS,10R,12bS,14aS)- [ACD/Index Name]
21α-hydroxy-3-oxo-friedelane

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

Density: 1.0±0.1 g/cm3
Boiling Point: 510.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 215.8±15.2 °C
Index of Refraction: 1.514
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 8.82
ACD/LogD (pH 5.5): 8.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 789046.94
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 789046.94
Polar Surface Area: 37 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 440.0±3.0 cm3

Click to predict properties on the Chemicalize site


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