ChemSpider 2D Image | (3beta)-28-(1H-Imidazol-1-yl)-28-oxours-12-en-3-yl acetate | C35H52N2O3

(3β)-28-(1H-Imidazol-1-yl)-28-oxours-12-en-3-yl acetate

  • Molecular FormulaC35H52N2O3
  • Average mass548.799 Da
  • Monoisotopic mass548.397766 Da
  • ChemSpider ID28646443

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-28-(1H-Imidazol-1-yl)-28-oxours-12-en-3-yl acetate [ACD/IUPAC Name]
(3β)-28-(1H-Imidazol-1-yl)-28-oxours-12-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β)-28-(1H-imidazol-1-yl)-28-oxours-12-én-3-yle [French] [ACD/IUPAC Name]
Urs-12-en-28-one, 3-(acetyloxy)-28-(1H-imidazol-1-yl)-, (3β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 159.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 9.85
ACD/LogD (pH 5.5): 9.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3034640.00
ACD/LogD (pH 7.4): 9.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3064570.50
Polar Surface Area: 61 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 460.5±7.0 cm3

Click to predict properties on the Chemicalize site


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