ChemSpider 2D Image | (17beta)-17-(1-Cyclopenten-1-yloxy)(16,16,17-~2~H_3_)androsta-1,4-dien-3-one | C24H29D3O2

(17β)-17-(1-Cyclopenten-1-yloxy)(16,16,17-2H3)androsta-1,4-dien-3-one

  • Molecular FormulaC24H29D3O2
  • Average mass355.528 Da
  • Monoisotopic mass355.259064 Da
  • ChemSpider ID58783954

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17β)-17-(1-Cyclopenten-1-yloxy)(16,16,17-2H3)androsta-1,4-dien-3-on [German] [ACD/IUPAC Name]
(17β)-17-(1-Cyclopenten-1-yloxy)(16,16,17-2H3)androsta-1,4-dien-3-one [ACD/IUPAC Name]
(17β)-17-(1-Cyclopentén-1-yloxy)(16,16,17-2H3)androsta-1,4-dién-3-one [French] [ACD/IUPAC Name]
Androsta-1,4-dien-3-one-16,16,17-d3, 17-(1-cyclopenten-1-yloxy)-, (17β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 500.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 203.7±23.7 °C
Index of Refraction: 1.576
Molar Refractivity: 104.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4841.19
ACD/KOC (pH 5.5): 15110.58
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4841.19
ACD/KOC (pH 7.4): 15110.58
Polar Surface Area: 26 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 314.4±5.0 cm3

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