ChemSpider 2D Image | (13alpha,17beta)-17-Hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid | C24H32O8

(13α,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC24H32O8
  • Average mass448.506 Da
  • Monoisotopic mass448.209717 Da
  • ChemSpider ID58994477

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(13α,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(13α,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (13α,17β)-17-hydroxyestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (13α,17β)-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: 702.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 241.6±26.4 °C
Index of Refraction: 1.638
Molar Refractivity: 113.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 315.0±3.0 cm3

Click to predict properties on the Chemicalize site


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