ChemSpider 2D Image | (3beta,17alpha)-17-Hydroxypregn-5-en-20-yn-3-yl acetate | C23H32O3

(3β,17α)-17-Hydroxypregn-5-en-20-yn-3-yl acetate

  • Molecular FormulaC23H32O3
  • Average mass356.498 Da
  • Monoisotopic mass356.235138 Da
  • ChemSpider ID128941691

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,17α)-17-Hydroxypregn-5-en-20-in-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,17α)-17-Hydroxypregn-5-en-20-yn-3-yl acetate [ACD/IUPAC Name]
Acétate de (3β,17α)-17-hydroxyprégn-5-én-20-yn-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-yne-3,17-diol, 3-acetate, (3β,17α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 451.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 174.0±21.5 °C
Index of Refraction: 1.560
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3500.97
ACD/KOC (pH 5.5): 11981.86
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3500.96
ACD/KOC (pH 7.4): 11981.83
Polar Surface Area: 47 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 313.2±5.0 cm3

Click to predict properties on the Chemicalize site


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