ChemSpider 2D Image | (16beta)-16-Hydroxypregn-4-ene-3,20-dione | C21H30O3

(16β)-16-Hydroxypregn-4-ene-3,20-dione

  • Molecular FormulaC21H30O3
  • Average mass330.461 Da
  • Monoisotopic mass330.219482 Da
  • ChemSpider ID20038040

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(16β)-16-Hydroxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(16β)-16-Hydroxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(16β)-16-Hydroxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
(8S,9S,10R,13S,14S,16S,17R)-17-Acetyl-16-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Pregn-4-ene-3,20-dione, 16-hydroxy-, (16β)-
Pregn-4-ene-3,20-dione, 16-hydroxy-, (16β)- [ACD/Index Name]
Pregn-4-ene-3,20-dione, 16β-hydroxy-
16β-Hydroxypregn-4-ene-3,20-dione
16β-Hydroxypregn-4-ene-3,20-dione
17779-71-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 487.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 262.7±25.2 °C
Index of Refraction: 1.558
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.93
ACD/KOC (pH 5.5): 1019.18
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.93
ACD/KOC (pH 7.4): 1019.18
Polar Surface Area: 54 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 286.9±5.0 cm3

Click to predict properties on the Chemicalize site


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