ChemSpider 2D Image | (17alpha)-3-Oxoandrost-4-en-17-yl beta-D-glucopyranosiduronic acid | C25H36O8

(17α)-3-Oxoandrost-4-en-17-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC25H36O8
  • Average mass464.548 Da
  • Monoisotopic mass464.241028 Da
  • ChemSpider ID32696787
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(17α)-3-Oxoandrost-4-en-17-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(17α)-3-Oxoandrost-4-en-17-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (17α)-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
Androst-4-en-3-one, 17-(β-D-glucopyranuronosyloxy)-, (17α)- [ACD/Index Name]
16996-33-1 [RN]
17α-testosterone 17-O-(β-D-glucuronide)
3-oxoandrost-4-en-17α-yl β-D-glucopyranosiduronic acid
epitestosterone 17-O-(β-D-glucuronide)
Epitestosterone glucuronide
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137491
  • Miscellaneous
    • Chemical Class:

      A steroid glucosiduronic acid that is epitestosterone in which the hydroxy hydrogen at position 17 has been replaced by a <stereo>beta</stereo>-<stereo>D</stereo>-glucuronyl residue. ChEBI CHEBI:137491
      A steroid glucosiduronic acid that is epitestosterone in which the hydroxy hydrogen at position 17 has been replaced by a beta-D-glucuronyl residue. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137491

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 677.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 228.3±25.0 °C
Index of Refraction: 1.606
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.45
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): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 339.1±5.0 cm3

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