ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta,17alpha)-3-Acetoxy-20-oxopregn-5-en-21-yl bromoacetate | C25H35BrO5

(3α,8α,9β,10α,13α,14β,17α)-3-Acetoxy-20-oxopregn-5-en-21-yl bromoacetate

  • Molecular FormulaC25H35BrO5
  • Average mass495.446 Da
  • Monoisotopic mass494.166779 Da
  • ChemSpider ID113600688

  • 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-Acetoxy-20-oxopregn-5-en-21-yl bromoacetate [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,17α)-3-Acetoxy-20-oxopregn-5-en-21-yl-bromacetat [German] [ACD/IUPAC Name]
Acetic acid, 2-bromo-, (3α,8α,9β,10α,13α,14β,17α)-3-(acetyloxy)-20-oxopregn-5-en-21-yl ester [ACD/Index Name]
Bromoacétate de (3α,8α,9β,10α,13α,14β,17α)-3-acétoxy-20-oxoprégn-5-én-21-yle [French] [ACD/IUPAC 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: 548.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.7±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11309.45
ACD/KOC (pH 5.5): 27735.90
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11309.45
ACD/KOC (pH 7.4): 27735.90
Polar Surface Area: 70 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 376.3±5.0 cm3

Click to predict properties on the Chemicalize site


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