ChemSpider 2D Image | (6beta)-6-(2-Pentyn-1-yloxy)androsta-1,4-diene-3,17-dione | C24H30O3

(6β)-6-(2-Pentyn-1-yloxy)androsta-1,4-diene-3,17-dione

  • Molecular FormulaC24H30O3
  • Average mass366.493 Da
  • Monoisotopic mass366.219482 Da
  • ChemSpider ID28665982

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6α,8α)-6-(Pent-2-Yn-1-Yloxy)androsta-1,4-Diene-3,17-Dione
(6β)-6-(2-Pentin-1-yloxy)androsta-1,4-dien-3,17-dion [German] [ACD/IUPAC Name]
(6β)-6-(2-Pentyn-1-yloxy)androsta-1,4-diene-3,17-dione [ACD/IUPAC Name]
(6β)-6-(2-Pentyn-1-yloxy)androsta-1,4-diène-3,17-dione [French] [ACD/IUPAC Name]
Androsta-1,4-diene-3,17-dione, 6-(2-pentyn-1-yloxy)-, (6β)- [ACD/Index Name]
0XJ

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 230.2±30.2 °C
Index of Refraction: 1.566
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 293.23
ACD/KOC (pH 5.5): 2030.62
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 293.23
ACD/KOC (pH 7.4): 2030.62
Polar Surface Area: 43 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 320.2±5.0 cm3

Click to predict properties on the Chemicalize site


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