ChemSpider 2D Image | (3alpha,5beta,11beta)-3,11-Dihydroxy(2,2,4,4-~2~H_4_)androstan-17-one | C19H26D4O3

(3α,5β,11β)-3,11-Dihydroxy(2,2,4,4-2H4)androstan-17-one

  • Molecular FormulaC19H26D4O3
  • Average mass310.464 Da
  • Monoisotopic mass310.244598 Da
  • ChemSpider ID58785615
  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3α,5β,11β)-3,11-Dihydroxy(2,2,4,4-2H4)androstan-17-on [German] [ACD/IUPAC Name]
(3α,5β,11β)-3,11-Dihydroxy(2,2,4,4-2H4)androstan-17-one [ACD/IUPAC Name]
(3α,5β,11β)-3,11-Dihydroxy(2,2,4,4-2H4)androstan-17-one [French] [ACD/IUPAC Name]
Androstan-17-one-2,2,4,4-d4, 3,11-dihydroxy-, (3α,5β,11β)- [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: 454.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±6.0 kJ/mol
Flash Point: 242.9±25.2 °C
Index of Refraction: 1.556
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.69
ACD/KOC (pH 5.5): 293.77
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.69
ACD/KOC (pH 7.4): 293.77
Polar Surface Area: 58 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 264.6±3.0 cm3

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