ChemSpider 2D Image | (8xi,9xi,14xi)-17-Oxo(2,4,16,16-~2~H_4_)estra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid | C24H26D4O8

(8ξ,9ξ,14ξ)-17-Oxo(2,4,16,16-2H4)estra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC24H26D4O8
  • Average mass450.515 Da
  • Monoisotopic mass450.219177 Da
  • ChemSpider ID114396864

  • defined stereocentres - 6 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8ξ,9ξ,14ξ)-17-Oxo(2,4,16,16-2H4)estra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-17-Oxo(2,4,16,16-2H4)estra-1,3,5(10)-trien-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (8ξ,9ξ,14ξ)-17-oxo(2,4,16,16-2H4)estra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-one-2,4,16,16-d4, 3-(β-D-glucopyranuronosyloxy)-, (8ξ,9ξ,14ξ)- [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: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 242.9±26.4 °C
Index of Refraction: 1.629
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 314.5±3.0 cm3

Click to predict properties on the Chemicalize site


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