ChemSpider 2D Image | Androst-4-ene-3beta,17beta-diol dienanthate | C33H54O4

Androst-4-ene-3β,17β-diol dienanthate

  • Molecular FormulaC33H54O4
  • Average mass514.779 Da
  • Monoisotopic mass514.402222 Da
  • ChemSpider ID117893

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,17β)-Androst-4-en-3,17-diyl-diheptanoat [German] [ACD/IUPAC Name]
(3β,17β)-Androst-4-ene-3,17-diyl diheptanoate [ACD/IUPAC Name]
Androst-4-ene-3β,17β-diol dienanthate
Androst-4-ene-3β,17β-diol diheptanoate
Diheptanoate de (3β,17β)-androst-4-ène-3,17-diyle [French] [ACD/IUPAC Name]
Heptanoic acid, (3β,17β)-androst-4-ene-3,17-diyl ester [ACD/Index Name]
(3S,8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diheptanoate
81340-54-7 [RN]
ADDEA
Androst-4-ene-3,17-diol, diheptanoate, (3β,17β)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 570.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 272.3±28.5 °C
Index of Refraction: 1.518
Molar Refractivity: 150.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 11.13
ACD/LogD (pH 5.5): 10.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 495.2±5.0 cm3

Click to predict properties on the Chemicalize site


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