ChemSpider 2D Image | (17alpha)-3-Oxoandrost-4-en-17-yl beta-D-glucopyranosiduronate | C25H35O8

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

  • Molecular FormulaC25H35O8
  • Average mass463.541 Da
  • Monoisotopic mass463.233734 Da
  • ChemSpider ID76962898

  • Charge - Charge

    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-glucopyranosiduronate [ACD/IUPAC Name]
(17α)-3-Oxoandrost-4-en-17-yl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
Androst-4-en-3-one, 17-(β-D-glucopyranuronosyloxy)-, ion(1-), (17α)- [ACD/Index Name]
3-oxoandrost-4-en-17α-yl β-D-glucopyranosiduronate
epitestosterone 17-O-(β-D-glucuronate)
  • Miscellaneous

    • Chemical Class:

      A steroid glucuronide anion that is the conjugate base of epitestosterone 17-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic ac; id function; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136673
      A steroid glucuronide anion that is the conjugate base of epitestosterone 17-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3. ChEBI CHEBI:136673

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

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

Click to predict properties on the Chemicalize site


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