ChemSpider 2D Image | (3beta,5alpha)-17-Oxoandrostan-3-yl methanesulfonate | C20H32O4S

(3β,5α)-17-Oxoandrostan-3-yl methanesulfonate

  • Molecular FormulaC20H32O4S
  • Average mass368.531 Da
  • Monoisotopic mass368.202118 Da
  • ChemSpider ID74041849

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,5α)-17-Oxoandrostan-3-yl methanesulfonate [ACD/IUPAC Name]
(3β,5α)-17-Oxoandrostan-3-yl-methansulfonat [German] [ACD/IUPAC Name]
19646-53-8 [RN]
Androstan-17-one, 3-[(methylsulfonyl)oxy]-, (3β,5α)- [ACD/Index Name]
Méthanesulfonate de (3β,5α)-17-oxoandrostan-3-yle [French] [ACD/IUPAC 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: 508.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.5±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 340.04
ACD/KOC (pH 5.5): 2257.72
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 340.04
ACD/KOC (pH 7.4): 2257.72
Polar Surface Area: 69 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 308.5±5.0 cm3

Click to predict properties on the Chemicalize site


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