ChemSpider 2D Image | (17xi)-19-Norpregn-5(10)-en-20-yne-3,17-diol | C20H28O2

(17ξ)-19-Norpregn-5(10)-en-20-yne-3,17-diol

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID58818954

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(17ξ)-19-Norpregn-5(10)-en-20-in-3,17-diol [German] [ACD/IUPAC Name]
(17ξ)-19-Norpregn-5(10)-en-20-yne-3,17-diol [ACD/IUPAC Name]
(17ξ)-19-Norprégn-5(10)-én-20-yne-3,17-diol [French] [ACD/IUPAC Name]
Estr-5(10)-ene-3,17-diol, 17-ethynyl- [ACD/Index Name]
17-ethynylestr-5(10)-ene-3,17-diol
21466-08-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 443.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±6.0 kJ/mol
Flash Point: 201.4±23.3 °C
Index of Refraction: 1.586
Molar Refractivity: 86.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 548.23
ACD/KOC (pH 5.5): 3177.99
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 548.23
ACD/KOC (pH 7.4): 3177.98
Polar Surface Area: 40 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 258.4±5.0 cm3

Click to predict properties on the Chemicalize site


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