ChemSpider 2D Image | stigmastane-3,20-diol, 4-methyl-, (3beta,4alpha,5alpha,20xi,24S)- | C30H54O2

stigmastane-3,20-diol, 4-methyl-, (3β,4α,5α,20ξ,24S)-

  • Molecular FormulaC30H54O2
  • Average mass446.749 Da
  • Monoisotopic mass446.412384 Da
  • ChemSpider ID21431277

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

stigmastane-3,20-diol, 4-methyl-, (3β,4α,5α,20ξ,24S)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 530.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.7±6.0 kJ/mol
Flash Point: 211.6±17.2 °C
Index of Refraction: 1.508
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 353774.13
ACD/KOC (pH 5.5): 326100.47
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 353774.13
ACD/KOC (pH 7.4): 326100.47
Polar Surface Area: 40 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 454.7±3.0 cm3

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