ChemSpider 2D Image | (3beta,17alpha,20R)-17,20-Epoxypregn-5-ene-3,21-diol | C21H32O3

(3β,17α,20R)-17,20-Epoxypregn-5-ene-3,21-diol

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID24660621

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,17α,20R)-17,20-Epoxypregn-5-en-3,21-diol [German] [ACD/IUPAC Name]
(3β,17α,20R)-17,20-Epoxypregn-5-ene-3,21-diol [ACD/IUPAC Name]
(3β,17α,20R)-17,20-Époxyprégn-5-ène-3,21-diol [French] [ACD/IUPAC Name]
Pregn-5-ene-3,21-diol, 17,20-epoxy-, (3β,17α,20R)- [ACD/Index 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: 485.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 247.2±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 93.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 279.21
ACD/KOC (pH 5.5): 1960.67
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 279.21
ACD/KOC (pH 7.4): 1960.67
Polar Surface Area: 53 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 278.2±5.0 cm3

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