ChemSpider 2D Image | (4beta,5beta,6beta,17beta)-4,17-Dihydroxy-17-[(4R,7S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-7-yl]-5,6-epoxyandrost-2-en-1-one | C28H38O7

(4β,5β,6β,17β)-4,17-Dihydroxy-17-[(4R,7S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-7-yl]-5,6-epoxyandrost-2-en-1-one

  • Molecular FormulaC28H38O7
  • Average mass486.597 Da
  • Monoisotopic mass486.261749 Da
  • ChemSpider ID30810606

  • defined stereocentres - 10 of 13 defined stereocentres

More details:

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

(4β,5β,6β,17β)-4,17-Dihydroxy-17-[(4R,7S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-7-yl]-5,6-epoxyandrost-2-en-1-on [German] [ACD/IUPAC Name]
(4β,5β,6β,17β)-4,17-Dihydroxy-17-[(4R,7S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-7-yl]-5,6-epoxyandrost-2-en-1-one [ACD/IUPAC Name]
(4β,5β,6β,17β)-4,17-Dihydroxy-17-[(4R,7S)-4-hydroxy-4,5-diméthyl-3-oxo-2-oxabicyclo[3.2.1]oct-7-yl]-5,6-époxyandrost-2-én-1-one [French] [ACD/IUPAC Name]
Androst-2-en-1-one, 5,6-epoxy-4,17-dihydroxy-17-[(4R,7S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-7-yl]-, (4β,5β,6β,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: 673.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 224.3±25.0 °C
Index of Refraction: 1.629
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.68
ACD/KOC (pH 5.5): 88.50
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.68
ACD/KOC (pH 7.4): 88.50
Polar Surface Area: 117 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 353.1±5.0 cm3

Click to predict properties on the Chemicalize site


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