ChemSpider 2D Image | (5alpha,8xi,14xi,16xi,17xi)-12-Oxospirost-9(11)-en-3-yl propionate | C30H44O5

(5α,8ξ,14ξ,16ξ,17ξ)-12-Oxospirost-9(11)-en-3-yl propionate

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID22870684

  • defined stereocentres - 5 of 11 defined stereocentres

More details:

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

(5α,8ξ,14ξ,16ξ,17ξ)-12-Oxospirost-9(11)-en-3-yl propionate [ACD/IUPAC Name]
(5α,8ξ,14ξ,16ξ,17ξ)-12-Oxospirost-9(11)-en-3-ylpropionat [German] [ACD/IUPAC Name]
Propionate de (5α,8ξ,14ξ,16ξ,17ξ)-12-oxospirost-9(11)-én-3-yle [French] [ACD/IUPAC Name]
Spirost-9(11)-en-12-one, 3-(1-oxopropoxy)-, (5α,8ξ,14ξ,16ξ,17ξ)- [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: 583.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 280.8±18.1 °C
Index of Refraction: 1.553
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6662.96
ACD/KOC (pH 5.5): 18992.08
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6662.96
ACD/KOC (pH 7.4): 18992.08
Polar Surface Area: 62 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 417.5±5.0 cm3

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