ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta,17beta)-3-Oxo(16,16,17-~2~H_3_)androst-4-en-17-yl beta-L-glucopyranosiduronic acid | C25H33D3O8

(8α,9β,10α,13α,14β,17β)-3-Oxo(16,16,17-2H3)androst-4-en-17-yl β-L-glucopyranosiduronic acid

  • Molecular FormulaC25H33D3O8
  • Average mass467.567 Da
  • Monoisotopic mass467.259857 Da
  • ChemSpider ID111314586

  • defined stereocentres - 11 of 11 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8α,9β,10α,13α,14β,17β)-3-Oxo(16,16,17-2H3)androst-4-en-17-yl β-L-glucopyranosiduronic acid [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17β)-3-Oxo(16,16,17-2H3)androst-4-en-17-yl-β-L-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-L-glucopyranosiduronique de (8α,9β,10α,13α,14β,17β)-3-oxo(16,16,17-2H3)androst-4-én-17-yle [French] [ACD/IUPAC Name]
Androst-4-en-3-one-16,16,17-d3, 17-(β-L-glucopyranuronosyloxy)-, (8α,9β,10α,13α,14β,17β)- [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: 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

Click to predict properties on the Chemicalize site


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