ChemSpider 2D Image | 17alpha-estradiol 3-glucosiduronate | C24H31O8

17α-estradiol 3-glucosiduronate

  • Molecular FormulaC24H31O8
  • Average mass447.499 Da
  • Monoisotopic mass447.202454 Da
  • ChemSpider ID26330818

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(17α)-17-Hydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate [ACD/IUPAC Name]
(17α)-17-Hydroxyestra-1,3,5(10)-trien-3-yl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
17α-estradiol 3-glucosiduronate
β-D-Glucopyranosiduronic acid, (17α)-17-hydroxyestra-1,3,5(10)-trien-3-yl, ion(1-) [ACD/Index Name]
17α-estradiol 3-O-(β-D-glucuronate)
17α-hydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate
estradiol-17α 3-D-glucuronoside
β-D-Glucopyranosiduronate de (17α)-17-hydroxyestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]

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

CHEBI:57529 [DBID]
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 17alpha-estradiol 3-glucosiduronic acid. ChEBI CHEBI:57529

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

Density:
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:
Molar Refractivity:
#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: 140 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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