ChemSpider 2D Image | (3beta,5alpha,9beta,13alpha,14beta,17alpha)-21-Phenyl-18-norpregn-20-yne-3,17-diol | C26H34O2

(3β,5α,9β,13α,14β,17α)-21-Phenyl-18-norpregn-20-yne-3,17-diol

  • Molecular FormulaC26H34O2
  • Average mass378.547 Da
  • Monoisotopic mass378.255890 Da
  • ChemSpider ID62394543

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,9β,13α,14β,17α)-21-Phenyl-18-norpregn-20-in-3,17-diol [German] [ACD/IUPAC Name]
(3β,5α,9β,13α,14β,17α)-21-Phenyl-18-norpregn-20-yne-3,17-diol [ACD/IUPAC Name]
(3β,5α,9β,13α,14β,17α)-21-Phényl-18-norprégn-20-yne-3,17-diol [French] [ACD/IUPAC Name]
Gonane-3,17-diol, 10-methyl-17-(2-phenylethynyl)-, (3α,5β,8α,10α,17β)- [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: 537.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 236.2±17.8 °C
Index of Refraction: 1.609
Molar Refractivity: 112.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9671.89
ACD/KOC (pH 5.5): 24798.12
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9671.85
ACD/KOC (pH 7.4): 24798.01
Polar Surface Area: 40 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 323.9±5.0 cm3

Click to predict properties on the Chemicalize site


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