ChemSpider 2D Image | (5alpha,17alpha)-17-Hydroxy-21-iodopregn-20-en-3-one | C21H31IO2

(5α,17α)-17-Hydroxy-21-iodopregn-20-en-3-one

  • Molecular FormulaC21H31IO2
  • Average mass442.374 Da
  • Monoisotopic mass442.136871 Da
  • ChemSpider ID31106419

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,17α)-17-Hydroxy-21-iodopregn-20-en-3-one [ACD/IUPAC Name]
(5α,17α)-17-Hydroxy-21-iodoprégn-20-én-3-one [French] [ACD/IUPAC Name]
(5α,17α)-17-Hydroxy-21-iodpregn-20-en-3-on [German] [ACD/IUPAC Name]
Pregn-20-en-3-one, 17-hydroxy-21-iodo-, (5α,17α)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 488.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 249.2±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3662.97
ACD/KOC (pH 5.5): 12376.16
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3662.97
ACD/KOC (pH 7.4): 12376.16
Polar Surface Area: 37 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 304.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement