ChemSpider 2D Image | 17-Oxoestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronate | C24H29O8

17-Oxoestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronate

  • Molecular FormulaC24H29O8
  • Average mass445.483 Da
  • Monoisotopic mass445.186798 Da
  • ChemSpider ID76962882

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

17-Oxoestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronate [ACD/IUPAC Name]
17-Oxoestra-1(10),2,4-trien-3-yl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one, 3-(β-D-glucopyranuronosyloxy)-, ion(1-) [ACD/Index Name]
17-oxoestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate
estrone 3-O-(β-D-glucuronate)
estrone 3-O-(β-D-glucuronide)(1-)
  • Miscellaneous

    • Chemical Class:

      A steroid glucuronide anion that is the conjugate base of estrone 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid functi; on; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136634
      A steroid glucuronide anion that is the conjugate base of estrone 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3. ChEBI CHEBI:136634

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

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

Click to predict properties on the Chemicalize site


Advertisement