ChemSpider 2D Image | 3-Oxoandrost-4-en-17-yl 4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate | C38H53NO5

3-Oxoandrost-4-en-17-yl 4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate

  • Molecular FormulaC38H53NO5
  • Average mass603.831 Da
  • Monoisotopic mass603.392395 Da
  • ChemSpider ID2865075

More details:

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

3-Oxoandrost-4-en-17-yl 4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate [ACD/IUPAC Name]
3-Oxoandrost-4-en-17-yl-4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoat [German] [ACD/IUPAC Name]
4-{[2-(2,2-Diméthyl-4-phényltétrahydro-2H-pyran-4-yl)éthyl]amino}-4-oxobutanoate de 3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-oxo-4-[[2-(tetrahydro-2,2-dimethyl-4-phenyl-2H-pyran-4-yl)ethyl]amino]-, 3-oxoandrost-4-en-17-yl ester [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: 742.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.7±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 171.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 36200.76
ACD/KOC (pH 5.5): 63784.29
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 36200.80
ACD/KOC (pH 7.4): 63784.36
Polar Surface Area: 82 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 522.8±5.0 cm3

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