ChemSpider 2D Image | (17alpha)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl D-glucopyranosiduronic acid | C26H32O8

(17α)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl D-glucopyranosiduronic acid

  • Molecular FormulaC26H32O8
  • Average mass472.527 Da
  • Monoisotopic mass472.209717 Da
  • ChemSpider ID58994070

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(17α)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-in-3-yl-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
(17α)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl D-glucopyranosiduronic acid [ACD/IUPAC Name]
21343-43-1 [RN]
Acide D-glucopyranosiduronique de (17α)-17-hydroxy-19-norprégna-1,3,5(10)-trién-20-yn-3-yle [French] [ACD/IUPAC Name]
D-Glucopyranosiduronic acid, (17β)-17-ethynyl-17-hydroxyestra-1,3,5(10)-trien-3-yl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 705.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 238.8±26.4 °C
Index of Refraction: 1.657
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.21
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 78.0±5.0 dyne/cm
Molar Volume: 326.4±5.0 cm3

Click to predict properties on the Chemicalize site


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