ChemSpider 2D Image | (3beta,20S)-20-[(3-Methylbutyl)sulfanyl]pregn-5-en-3-ol | C26H44OS

(3β,20S)-20-[(3-Methylbutyl)sulfanyl]pregn-5-en-3-ol

  • Molecular FormulaC26H44OS
  • Average mass404.692 Da
  • Monoisotopic mass404.311279 Da
  • ChemSpider ID108539442

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,20S)-20-[(3-Methylbutyl)sulfanyl]pregn-5-en-3-ol [ACD/IUPAC Name]
(3β,20S)-20-[(3-Methylbutyl)sulfanyl]pregn-5-en-3-ol [German] [ACD/IUPAC Name]
(3β,20S)-20-[(3-Méthylbutyl)sulfanyl]prégn-5-én-3-ol [French] [ACD/IUPAC Name]
Pregn-5-en-3-ol, 20-[(3-methylbutyl)thio]-, (3β,20S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 507.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.5±6.0 kJ/mol
Flash Point: 245.9±21.3 °C
Index of Refraction: 1.547
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 350976.91
ACD/KOC (pH 5.5): 324252.50
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 350976.91
ACD/KOC (pH 7.4): 324252.50
Polar Surface Area: 46 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 389.1±5.0 cm3

Click to predict properties on the Chemicalize site


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