ChemSpider 2D Image | (3beta,5alpha,6alpha,10xi,13xi)-3,6-Dihydroxypregn-9(11)-en-20-one | C21H32O3

(3β,5α,6α,10ξ,13ξ)-3,6-Dihydroxypregn-9(11)-en-20-one

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID58817126

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,5α,6α,10ξ,13ξ)-3,6-Dihydroxypregn-9(11)-en-20-on [German] [ACD/IUPAC Name]
(3β,5α,6α,10ξ,13ξ)-3,6-Dihydroxypregn-9(11)-en-20-one [ACD/IUPAC Name]
(3β,5α,6α,10ξ,13ξ)-3,6-Dihydroxyprégn-9(11)-én-20-one [French] [ACD/IUPAC Name]
Pregn-9(11)-en-20-one, 3,6-dihydroxy-, (3β,5α,6α,10ξ,13ξ)- [ACD/Index Name]
37717-02-5 [RN]
Asterone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 481.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 258.9±25.2 °C
Index of Refraction: 1.565
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 147.53
ACD/KOC (pH 5.5): 1241.93
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.53
ACD/KOC (pH 7.4): 1241.93
Polar Surface Area: 58 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 288.0±5.0 cm3

Click to predict properties on the Chemicalize site


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