ChemSpider 2D Image | Estriol-16β-D-glucopyranosiduronic acid | C24H32O9

Estriol-16β-D-glucopyranosiduronic acid

  • Molecular FormulaC24H32O9
  • Average mass464.505 Da
  • Monoisotopic mass464.204620 Da
  • ChemSpider ID28291313
  • defined stereocentres - 10 of 11 defined stereocentres


More details:






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

(16β,17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-16-yl D-glucopyranosiduronic acid [ACD/IUPAC Name]
(16β,17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-16-yl-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
1852-50-2 [RN]
Acide D-glucopyranosiduronique de (16β,17β)-3,17-dihydroxyestra-1,3,5(10)-trién-16-yle [French] [ACD/IUPAC Name]
D-Glucopyranosiduronic acid, (16β,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl [ACD/Index Name]
Estriol-16β-D-glucopyranosiduronic acid
1,3,5[10]-ESTRATRIENE-3,16α,17β-TRIOL16-GLUCURONIDE
Estriol 16??-(??-D-glucuronide)
estriol-16β-d-glucopyranosiduronic acid
Estriol-16β-D-glucopyranosiduronicacid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 738.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 253.5±26.4 °C
Index of Refraction: 1.668
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -2.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 82.8±5.0 dyne/cm
Molar Volume: 307.4±5.0 cm3

Click to predict properties on the Chemicalize site






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