ChemSpider 2D Image | (3beta,5beta,8xi,9xi,10xi,13xi,14xi)-3-Hydroxy(2,2,3,4,4-~2~H_5_)androstan-17-one | C19H25D5O2

(3β,5β,8ξ,9ξ,10ξ,13ξ,14ξ)-3-Hydroxy(2,2,3,4,4-2H5)androstan-17-one

  • Molecular FormulaC19H25D5O2
  • Average mass295.471 Da
  • Monoisotopic mass295.255951 Da
  • ChemSpider ID28295639

  • defined stereocentres - 2 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,5β,8ξ,9ξ,10ξ,13ξ,14ξ)-3-Hydroxy(2,2,3,4,4-2H5)androstan-17-on [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,10ξ,13ξ,14ξ)-3-Hydroxy(2,2,3,4,4-2H5)androstan-17-one [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,10ξ,13ξ,14ξ)-3-Hydroxy(2,2,3,4,4-2H5)androstan-17-one [French] [ACD/IUPAC Name]
Androstan-17-one-2,2,3,4,4-d5, 3-hydroxy-, (3β,5β,8ξ,9ξ,10ξ,13ξ,14ξ)- [ACD/Index Name]
5β-Androstan-3β-ol-17-one-2,2,3α,4,4-d5
Epietiocholanolone [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 176.4±21.3 °C
Index of Refraction: 1.536
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 375.87
ACD/KOC (pH 5.5): 2425.60
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 375.87
ACD/KOC (pH 7.4): 2425.60
Polar Surface Area: 37 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 267.6±3.0 cm3

Click to predict properties on the Chemicalize site


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