ChemSpider 2D Image | (18xi)-Urs-12-en-3-one | C30H48O

(18ξ)-Urs-12-en-3-one

  • Molecular FormulaC30H48O
  • Average mass424.702 Da
  • Monoisotopic mass424.370514 Da
  • ChemSpider ID114392781

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(18ξ)-Urs-12-en-3-on [German] [ACD/IUPAC Name]
(18ξ)-Urs-12-en-3-one [ACD/IUPAC Name]
(18ξ)-Urs-12-én-3-one [French] [ACD/IUPAC Name]
Urs-12-en-3-one, (18ξ)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 491.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 204.3±23.7 °C
Index of Refraction: 1.533
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 10.43
ACD/LogD (pH 5.5): 9.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4935089.00
ACD/LogD (pH 7.4): 9.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4935089.00
Polar Surface Area: 17 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 420.6±5.0 cm3

Click to predict properties on the Chemicalize site


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