ChemSpider 2D Image | (5alpha,8xi,9xi,10xi,13xi,14xi,17xi)-20-Oxopregnane-3,21-diyl diacetate | C25H38O5

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-20-Oxopregnane-3,21-diyl diacetate

  • Molecular FormulaC25H38O5
  • Average mass418.566 Da
  • Monoisotopic mass418.271912 Da
  • ChemSpider ID22889815

  • defined stereocentres - 1 of 8 defined stereocentres

More details:

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

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-20-Oxopregnan-3,21-diyl-diacetat [German] [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-20-Oxopregnane-3,21-diyl diacetate [ACD/IUPAC Name]
Diacétate de (5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-20-oxoprégnane-3,21-diyle [French] [ACD/IUPAC Name]
Pregnan-20-one, 3,21-bis(acetyloxy)-, (5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)- [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: 499.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 212.2±21.8 °C
Index of Refraction: 1.524
Molar Refractivity: 113.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3853.50
ACD/KOC (pH 5.5): 12833.61
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3853.50
ACD/KOC (pH 7.4): 12833.61
Polar Surface Area: 70 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 370.6±5.0 cm3

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