ChemSpider 2D Image | (5alpha,8alpha,22xi,25R)-Spirostan-3-one | C27H42O3

(5α,8α,22ξ,25R)-Spirostan-3-one

  • Molecular FormulaC27H42O3
  • Average mass414.621 Da
  • Monoisotopic mass414.313385 Da
  • ChemSpider ID67034857

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(5α,8α,22ξ,25R)-Spirostan-3-on [German] [ACD/IUPAC Name]
(5α,8α,22ξ,25R)-Spirostan-3-one [ACD/IUPAC Name]
(5α,8α,22ξ,25R)-Spirostan-3-one [French] [ACD/IUPAC Name]
Spirostan-3-one, (5α,8α,22ξ,25R)- [ACD/Index Name]
Tigogenone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 514.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 257.5±16.5 °C
Index of Refraction: 1.546
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7577.91
ACD/KOC (pH 5.5): 20824.38
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7577.91
ACD/KOC (pH 7.4): 20824.38
Polar Surface Area: 36 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 373.3±5.0 cm3

Click to predict properties on the Chemicalize site


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