ChemSpider 2D Image | (3beta,16E,17E)-17-(Hydroxyimino)-16-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]benzylidene}androst-5-en-3-yl acetate | C35H48N2O6

(3β,16E,17E)-17-(Hydroxyimino)-16-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]benzylidene}androst-5-en-3-yl acetate

  • Molecular FormulaC35H48N2O6
  • Average mass592.765 Da
  • Monoisotopic mass592.351257 Da
  • ChemSpider ID9672823

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β,16E,17E)-17-(Hydroxyimino)-16-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]benzyliden}androst-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,16E,17E)-17-(Hydroxyimino)-16-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]benzylidene}androst-5-en-3-yl acetate [ACD/IUPAC Name]
Acétate de (3β,16E,17E)-17-(hydroxyimino)-16-{3-méthoxy-4-[2-(4-morpholinyl)éthoxy]benzylidène}androst-5-én-3-yle [French] [ACD/IUPAC Name]
Androst-5-en-17-one, 3-(acetyloxy)-16-[[3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]methylene]-, oxime, (3β,16E,17E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 392.0±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 163.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 2768.37
ACD/KOC (pH 5.5): 5427.12
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22582.19
ACD/KOC (pH 7.4): 44270.25
Polar Surface Area: 90 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 467.2±7.0 cm3

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