ChemSpider 2D Image | (3beta,5beta,9beta,14beta,17xi)-19-Norpregn-20-yne-3,17-diol | C20H30O2

(3β,5β,9β,14β,17ξ)-19-Norpregn-20-yne-3,17-diol

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID96316862

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,5β,9β,14β,17ξ)-19-Norpregn-20-in-3,17-diol [German] [ACD/IUPAC Name]
(3β,5β,9β,14β,17ξ)-19-Norpregn-20-yne-3,17-diol [ACD/IUPAC Name]
(3β,5β,9β,14β,17ξ)-19-Norprégn-20-yne-3,17-diol [French] [ACD/IUPAC Name]
Estrane-3,17-diol, 17-ethynyl-, (3β,5β,9β,14β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 428.9±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±6.0 kJ/mol
Flash Point: 192.5±15.8 °C
Index of Refraction: 1.568
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.85
ACD/KOC (pH 5.5): 1958.84
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 278.85
ACD/KOC (pH 7.4): 1958.84
Polar Surface Area: 40 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 266.6±5.0 cm3

Click to predict properties on the Chemicalize site


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