ChemSpider 2D Image | CO-134444 | C26H40N2O3

CO-134444

  • Molecular FormulaC26H40N2O3
  • Average mass428.607 Da
  • Monoisotopic mass428.303894 Da
  • ChemSpider ID32700202

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α)-3-Hydroxy-21-(1H-imidazol-1-yl)-3-(methoxymethyl)pregnan-20-on [German] [ACD/IUPAC Name]
(3β,5α)-3-Hydroxy-21-(1H-imidazol-1-yl)-3-(methoxymethyl)pregnan-20-one [ACD/IUPAC Name]
(3β,5α)-3-Hydroxy-21-(1H-imidazol-1-yl)-3-(méthoxyméthyl)prégnan-20-one [French] [ACD/IUPAC Name]
1GA9JVO9ZA
256955-84-7 [RN]
CO-134444
Pregnan-20-one, 3-hydroxy-21-(1H-imidazol-1-yl)-3-(methoxymethyl)-, (3β,5α)- [ACD/Index Name]
UNII:1GA9JVO9ZA
UNII-1GA9JVO9ZA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 301.1±23.2 °C
Index of Refraction: 1.633
Molar Refractivity: 120.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 121.47
ACD/KOC (pH 5.5): 651.38
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 678.27
ACD/KOC (pH 7.4): 3637.17
Polar Surface Area: 64 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 338.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement