ChemSpider 2D Image | (3beta,5beta,17alpha)-19-Norpregn-20-yne-3,17-diol | C20H30O2

(3β,5β,17α)-19-Norpregn-20-yne-3,17-diol

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID20051011

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5β,17α)-19-Norpregn-20-in-3,17-diol [German] [ACD/IUPAC Name]
(3β,5β,17α)-19-Norpregn-20-yne-3,17-diol [ACD/IUPAC Name]
(3β,5β,17α)-19-Norprégn-20-yne-3,17-diol [French] [ACD/IUPAC Name]
17α-Ethynyl-5β-estrane-3β,17β-diol
Estrane-3,17-diol, 17-ethynyl-, (3β,5β,17β)- [ACD/Index Name]
5β-ESTRAN-17α-ETHYNYL-3β,17β-DIOL

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

Density: 1.1±0.0 g/cm3
Boiling Point: 428.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 79.0±0.0 kJ/mol
Flash Point: 192.5±0.0 °C
Index of Refraction:
Molar Refractivity: 87.2±0.0 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 734.33
ACD/KOC (pH 5.5): 3917.47
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 734.33
ACD/KOC (pH 7.4): 3917.46
Polar Surface Area: 40 Å2
Polarizability: 34.6±0.0 10-24cm3
Surface Tension: 49.5±0.0 dyne/cm
Molar Volume: 266.6±0.0 cm3

Click to predict properties on the Chemicalize site


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