ChemSpider 2D Image | Z50OE1022B | C20H32OS

Z50OE1022B

  • Molecular FormulaC20H32OS
  • Average mass320.533 Da
  • Monoisotopic mass320.217377 Da
  • ChemSpider ID48063843
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(2α,3α,5α,17β)-17-Methyl-2,3-epithioandrostan-17-ol [ACD/IUPAC Name]
(2α,3α,5α,17β)-17-Méthyl-2,3-épithioandrostan-17-ol [French] [ACD/IUPAC Name]
2,3-Thioepoxy Madol
4267-80-5 [RN]
Androstan-17-ol, 2,3-epithio-17-methyl-, (2α,3α,5α,17β)- [ACD/Index Name]
Z50OE1022B
2-α,3-α-EPITHIO-17-α-METHYL ETIOALLOCHOLAN-17-β-OL
UNII:Z50OE1022B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 427.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 207.3±25.5 °C
Index of Refraction: 1.568
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2485.28
ACD/KOC (pH 5.5): 9375.74
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2485.28
ACD/KOC (pH 7.4): 9375.74
Polar Surface Area: 46 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 287.8±3.0 cm3

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