ChemSpider 2D Image | (3beta,17alpha,20S)-3-Hydroxy-20,21-epithiopregn-5-en-17-yl dimethylcarbamate | C24H37NO3S

(3β,17α,20S)-3-Hydroxy-20,21-epithiopregn-5-en-17-yl dimethylcarbamate

  • Molecular FormulaC24H37NO3S
  • Average mass419.621 Da
  • Monoisotopic mass419.249420 Da
  • ChemSpider ID30659246

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,17α,20S)-3-Hydroxy-20,21-epithiopregn-5-en-17-yl dimethylcarbamate [ACD/IUPAC Name]
Carbamic acid, N,N-dimethyl-, (3β,17α,20S)-20,21-epithio-3-hydroxypregn-5-en-17-yl ester [ACD/Index Name]
Diméthylcarbamate de (3β,17α,20S)-3-hydroxy-20,21-épithioprégn-5-én-17-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: 536.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 278.4±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4644.82
ACD/KOC (pH 5.5): 14669.30
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4644.82
ACD/KOC (pH 7.4): 14669.30
Polar Surface Area: 75 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 346.3±5.0 cm3

Click to predict properties on the Chemicalize site


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