ChemSpider 2D Image | (3beta,16beta)-3-Hydroxy-16,17-epoxypregn-5-en-20-one | C21H30O3

(3β,16β)-3-Hydroxy-16,17-epoxypregn-5-en-20-one

  • Molecular FormulaC21H30O3
  • Average mass330.461 Da
  • Monoisotopic mass330.219482 Da
  • ChemSpider ID21782182

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

16α,17α-Epoxypregnenolone
(3β,16β)-3-Hydroxy-16,17-epoxypregn-5-en-20-on [German] [ACD/IUPAC Name]
(3β,16β)-3-Hydroxy-16,17-epoxypregn-5-en-20-one [ACD/IUPAC Name]
(3β,16β)-3-Hydroxy-16,17-époxyprégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 16,17-epoxy-3-hydroxy-, (3β,16β)- [ACD/Index Name]
16a,17-Epoxy-3b-hydroxypregn-5-en-20-one
MFCD00135147 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 462.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.4±6.0 kJ/mol
Flash Point: 159.4±22.2 °C
Index of Refraction: 1.577
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 196.63
ACD/KOC (pH 5.5): 1525.46
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.63
ACD/KOC (pH 7.4): 1525.46
Polar Surface Area: 50 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 277.7±5.0 cm3

Click to predict properties on the Chemicalize site


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