ChemSpider 2D Image | (3beta)-20-Oxopregn-5-en-3-yl (4-iodophenyl)carbamate | C28H36INO3

(3β)-20-Oxopregn-5-en-3-yl (4-iodophenyl)carbamate

  • Molecular FormulaC28H36INO3
  • Average mass561.495 Da
  • Monoisotopic mass561.173950 Da
  • ChemSpider ID115275
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3β)-20-Oxopregn-5-en-3-yl (4-iodophenyl)carbamate [ACD/IUPAC Name]
(3β)-20-Oxopregn-5-en-3-yl-(4-iodphenyl)carbamat [German] [ACD/IUPAC Name]
(4-Iodophényl)carbamate de (3β)-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-(4-iodophenyl)-, (3β)-20-oxopregn-5-en-3-yl ester [ACD/Index Name]
(3β)-3-((((4-Iodophenyl)amino)carbonyl)oxy)pregn-5-en-20-one
124824-12-0 [RN]
4-Ippc
N-(4-Iodophenyl)pregnenolone 3-carbamate
Pregn-5-en-20-one, 3-((((4-iodophenyl)amino)carbonyl)oxy)-, (3β)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 573.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.7±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 114569.03
ACD/KOC (pH 5.5): 145498.48
ACD/LogD (pH 7.4): 6.96
ACD/BCF (pH 7.4): 114568.78
ACD/KOC (pH 7.4): 145498.17
Polar Surface Area: 55 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 397.3±5.0 cm3

Click to predict properties on the Chemicalize site






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