ChemSpider 2D Image | (3beta)-28-Oxo-28-(1H-1,2,4-triazol-1-yl)urs-12-en-3-yl acetate | C34H51N3O3

(3β)-28-Oxo-28-(1H-1,2,4-triazol-1-yl)urs-12-en-3-yl acetate

  • Molecular FormulaC34H51N3O3
  • Average mass549.787 Da
  • Monoisotopic mass549.393066 Da
  • ChemSpider ID65009509

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-28-Oxo-28-(1H-1,2,4-triazol-1-yl)urs-12-en-3-yl acetate [ACD/IUPAC Name]
(3β)-28-Oxo-28-(1H-1,2,4-triazol-1-yl)urs-12-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β)-28-oxo-28-(1H-1,2,4-triazol-1-yl)urs-12-én-3-yle [French] [ACD/IUPAC Name]
Urs-12-en-28-one, 3-(acetyloxy)-28-(1H-1,2,4-triazol-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: 617.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.5±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 158.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 8.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1148084.13
ACD/LogD (pH 7.4): 8.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1148101.75
Polar Surface Area: 74 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 449.1±7.0 cm3

Click to predict properties on the Chemicalize site


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