ChemSpider 2D Image | (3beta)-3-Hydroxy-11-oxo-N-(2-propyn-1-yl)olean-12-en-30-amide | C33H49NO3

(3β)-3-Hydroxy-11-oxo-N-(2-propyn-1-yl)olean-12-en-30-amide

  • Molecular FormulaC33H49NO3
  • Average mass507.747 Da
  • Monoisotopic mass507.371246 Da
  • ChemSpider ID24645320

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-Hydroxy-11-oxo-N-(2-propin-1-yl)olean-12-en-30-amid [German] [ACD/IUPAC Name]
(3β)-3-Hydroxy-11-oxo-N-(2-propyn-1-yl)olean-12-en-30-amide [ACD/IUPAC Name]
(3β)-3-Hydroxy-11-oxo-N-(2-propyn-1-yl)oléan-12-én-30-amide [French] [ACD/IUPAC Name]
Olean-12-en-30-amide, 3-hydroxy-11-oxo-N-2-propyn-1-yl-, (3β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 640.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.4±6.0 kJ/mol
Flash Point: 341.3±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 34806.27
ACD/KOC (pH 5.5): 62015.81
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 34806.27
ACD/KOC (pH 7.4): 62015.81
Polar Surface Area: 66 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 455.0±5.0 cm3

Click to predict properties on the Chemicalize site


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