ChemSpider 2D Image | (17alpha)-3-Hydroxy-19-norpregna-1(10),2,4-trien-20-yn-17-yl methyl beta-D-glucopyranosiduronate | C27H34O8

(17α)-3-Hydroxy-19-norpregna-1(10),2,4-trien-20-yn-17-yl methyl β-D-glucopyranosiduronate

  • Molecular FormulaC27H34O8
  • Average mass486.554 Da
  • Monoisotopic mass486.225372 Da
  • ChemSpider ID96316906

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(17α)-3-Hydroxy-19-norpregna-1(10),2,4-trien-20-in-17-yl-methyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
(17α)-3-Hydroxy-19-norpregna-1(10),2,4-trien-20-yn-17-yl methyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (17β)-17-ethynyl-3-hydroxyestra-1(10),2,4-trien-17-yl, methyl ester [ACD/Index Name]
321860-75-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 649.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 214.8±25.0 °C
Index of Refraction: 1.630
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 259.00
ACD/KOC (pH 5.5): 1858.01
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 258.62
ACD/KOC (pH 7.4): 1855.29
Polar Surface Area: 126 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 351.3±5.0 cm3

Click to predict properties on the Chemicalize site


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