ChemSpider 2D Image | (5beta,8xi,9xi,10alpha)-4,4,14-Trimethyl-8,9-epoxypregnane-3,7,11,15,20-pentone | C24H30O6

(5β,8ξ,9ξ,10α)-4,4,14-Trimethyl-8,9-epoxypregnane-3,7,11,15,20-pentone

  • Molecular FormulaC24H30O6
  • Average mass414.491 Da
  • Monoisotopic mass414.204254 Da
  • ChemSpider ID78436865

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(5β,8ξ,9ξ,10α)-4,4,14-Trimethyl-8,9-epoxypregnan-3,7,11,15,20-penton [German] [ACD/IUPAC Name]
(5β,8ξ,9ξ,10α)-4,4,14-Trimethyl-8,9-epoxypregnane-3,7,11,15,20-pentone [ACD/IUPAC Name]
(5β,8ξ,9ξ,10α)-4,4,14-Triméthyl-8,9-époxyprégnane-3,7,11,15,20-pentone [French] [ACD/IUPAC Name]
Pregnane-3,7,11,15,20-pentone, 8,9-epoxy-4,4,14-trimethyl-, (5β,8ξ,9ξ,10α)- [ACD/Index Name]
8α,9α-epoxy-4,4,14α-trimethyl-3,7,11,15,20-pentaoxo-5α-pregnane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 250.8±30.2 °C
Index of Refraction: 1.567
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.90
ACD/KOC (pH 5.5): 229.00
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.90
ACD/KOC (pH 7.4): 229.00
Polar Surface Area: 98 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 322.5±5.0 cm3

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