ChemSpider 2D Image | (3beta,9beta,10alpha,13alpha,14beta)-3,21-Dihydroxypregn-5-en-20-one | C21H32O3

(3β,9β,10α,13α,14β)-3,21-Dihydroxypregn-5-en-20-one

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID62294687

  • 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)-3,21-Dihydroxypregn-5-en-20-on [German] [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β)-3,21-Dihydroxypregn-5-en-20-one [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β)-3,21-Dihydroxyprégn-5-én-20-one [French] [ACD/IUPAC Name]
(3β,9β,10α,13α,14β)-3,21-Dihydroxypregn-5-en-20-on [German] [ACD/IUPAC Name]
(3β,9β,10α,13α,14β)-3,21-Dihydroxypregn-5-en-20-one [ACD/IUPAC Name]
(3β,9β,10α,13α,14β)-3,21-Dihydroxyprégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3,21-dihydroxy-, (3α,8α,9β,10α,13α,14β)- [ACD/Index Name]
Pregn-5-en-20-one, 3,21-dihydroxy-, (3β,9β,10α,13α,14β)- [ACD/Index 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: 483.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 260.2±25.2 °C
Index of Refraction: 1.567
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 246.32
ACD/KOC (pH 5.5): 1792.44
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 246.32
ACD/KOC (pH 7.4): 1792.44
Polar Surface Area: 58 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 287.4±5.0 cm3

Click to predict properties on the Chemicalize site


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