ChemSpider 2D Image | 2-Methyl-2-propanyl [(3beta,5beta,14beta,17alpha)-14-(ethoxymethoxy)-17-formyl-3-(tetrahydro-2H-pyran-2-yloxy)androstan-17-yl]carbamate | C33H55NO7

2-Methyl-2-propanyl [(3β,5β,14β,17α)-14-(ethoxymethoxy)-17-formyl-3-(tetrahydro-2H-pyran-2-yloxy)androstan-17-yl]carbamate

  • Molecular FormulaC33H55NO7
  • Average mass577.792 Da
  • Monoisotopic mass577.397827 Da
  • ChemSpider ID8897247

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

[(3β,5β,14β,17α)-14-(Éthoxyméthoxy)-17-formyl-3-(tétrahydro-2H-pyran-2-yloxy)androstan-17-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(3β,5β,14β,17α)-14-(ethoxymethoxy)-17-formyl-3-(tetrahydro-2H-pyran-2-yloxy)androstan-17-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3β,5β,14β,17α)-14-(ethoxymethoxy)-17-formyl-3-(tetrahydro-2H-pyran-2-yloxy)androstan-17-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3β,5β,14β,17α)-14-(ethoxymethoxy)-17-formyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]androstan-17-yl]-, 1,1-dimethylethyl ester [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: 635.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.0±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10199.50
ACD/KOC (pH 5.5): 25758.87
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10178.69
ACD/KOC (pH 7.4): 25706.32
Polar Surface Area: 92 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 509.8±5.0 cm3

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