ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta)-19-Norpregn-4-en-20-yne-3,17-diol | C20H28O2

(3α,8α,9β,10α,13α,14β)-19-Norpregn-4-en-20-yne-3,17-diol

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID114553572

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14β)-19-Norpregn-4-en-20-in-3,17-diol [German] [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β)-19-Norpregn-4-en-20-yne-3,17-diol [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β)-19-Norprégn-4-én-20-yne-3,17-diol [French] [ACD/IUPAC Name]
Estr-4-ene-3,17-diol, 17-ethynyl-, (3α,8α,9β,10α,13α,14β,17α)- [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: 444.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±6.0 kJ/mol
Flash Point: 201.9±23.3 °C
Index of Refraction: 1.586
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 369.39
ACD/KOC (pH 5.5): 2395.60
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 369.39
ACD/KOC (pH 7.4): 2395.60
Polar Surface Area: 40 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 259.2±5.0 cm3

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