ChemSpider 2D Image | (8alpha,9beta,10alpha,11beta,13alpha,14beta,17alpha)-11,17-Dihydroxy-17-(~2~H_3_)methyl-3-oxoandrosta-1,4-diene-2-carbaldehyde | C21H25D3O4

(8α,9β,10α,11β,13α,14β,17α)-11,17-Dihydroxy-17-(2H3)methyl-3-oxoandrosta-1,4-diene-2-carbaldehyde

  • Molecular FormulaC21H25D3O4
  • Average mass347.463 Da
  • Monoisotopic mass347.217590 Da
  • ChemSpider ID111312430

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8α,9β,10α,11β,13α,14β,17α)-11,17-Dihydroxy-17-(2H3)methyl-3-oxoandrosta-1,4-dien-2-carbaldehyd [German] [ACD/IUPAC Name]
(8α,9β,10α,11β,13α,14β,17α)-11,17-Dihydroxy-17-(2H3)methyl-3-oxoandrosta-1,4-diene-2-carbaldehyde [ACD/IUPAC Name]
(8α,9β,10α,11β,13α,14β,17α)-11,17-Dihydroxy-17-(2H3)méthyl-3-oxoandrosta-1,4-diène-2-carbaldéhyde [French] [ACD/IUPAC Name]
Androsta-1,4-diene-2-carboxaldehyde, 11,17-dihydroxy-17-(methyl-d3)-3-oxo-, (8α,9β,10α,11β,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 296.6±26.6 °C
Index of Refraction: 1.593
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.35
ACD/KOC (pH 5.5): 437.60
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.35
ACD/KOC (pH 7.4): 437.60
Polar Surface Area: 75 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 277.4±5.0 cm3

Click to predict properties on the Chemicalize site


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