ChemSpider 2D Image | (17beta)-3-Hydroxy(16,16,17-~2~H_3_)estra-1,3,5(10)-trien-17-yl beta-D-glucopyranosiduronic acid | C24H29D3O8

(17β)-3-Hydroxy(16,16,17-2H3)estra-1,3,5(10)-trien-17-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC24H29D3O8
  • Average mass451.525 Da
  • Monoisotopic mass451.228546 Da
  • ChemSpider ID107443168
  • defined stereocentres - 10 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(17β)-3-Hydroxy(16,16,17-2H3)estra-1,3,5(10)-trien-17-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(17β)-3-Hydroxy(16,16,17-2H3)estra-1,3,5(10)-trien-17-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (17β)-3-hydroxy(16,16,17-2H3)estra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl-16,16,17-d3 [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: 696.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 239.3±25.0 °C
Index of Refraction: 1.651
Molar Refractivity: 113.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 309.5±5.0 cm3

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