ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta,17alpha)-3-Acetoxyandrost-5-en-17-yl benzoate | C28H36O4

(3α,8α,9β,10α,13α,14β,17α)-3-Acetoxyandrost-5-en-17-yl benzoate

  • Molecular FormulaC28H36O4
  • Average mass436.583 Da
  • Monoisotopic mass436.261353 Da
  • ChemSpider ID110092053

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14β,17α)-3-Acetoxyandrost-5-en-17-yl benzoate [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,17α)-3-Acetoxyandrost-5-en-17-yl-benzoat [German] [ACD/IUPAC Name]
Androst-5-ene-3,17-diol, 3-acetate 17-benzoate, (3α,8α,9β,10α,13α,14β,17α)- [ACD/Index Name]
Benzoate de (3α,8α,9β,10α,13α,14β,17α)-3-acétoxyandrost-5-én-17-yle [French] [ACD/IUPAC 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: 526.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 256.9±28.5 °C
Index of Refraction: 1.571
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 97891.73
ACD/KOC (pH 5.5): 130003.49
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 97891.73
ACD/KOC (pH 7.4): 130003.49
Polar Surface Area: 53 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 376.5±5.0 cm3

Click to predict properties on the Chemicalize site


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