ChemSpider 2D Image | (3beta,12beta,14beta,17alpha)-3,12,14-Trihydroxypregn-5-en-20-one | C21H32O4

(3β,12β,14β,17α)-3,12,14-Trihydroxypregn-5-en-20-one

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID57641782

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,12β,14β,17α)-3,12,14-Trihydroxypregn-5-en-20-on [German] [ACD/IUPAC Name]
(3β,12β,14β,17α)-3,12,14-Trihydroxypregn-5-en-20-one [ACD/IUPAC Name]
(3β,12β,14β,17α)-3,12,14-Trihydroxyprégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3,12,14-trihydroxy-, (3β,12β,14β,17α)- [ACD/Index Name]
4373-53-9 [RN]
Isodigipurpurogenin II

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 516.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 280.5±26.6 °C
Index of Refraction: 1.584
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.56
ACD/KOC (pH 5.5): 188.03
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.56
ACD/KOC (pH 7.4): 188.03
Polar Surface Area: 78 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 285.1±5.0 cm3

Click to predict properties on the Chemicalize site


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