ChemSpider 2D Image | (17beta)-3-Oxoandrost-4-en-17-yl 2-hydroxy-3-oxododecanoate | C31H48O5

(17β)-3-Oxoandrost-4-en-17-yl 2-hydroxy-3-oxododecanoate

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID21164620

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(17β)-3-Oxoandrost-4-en-17-yl 2-hydroxy-3-oxododecanoate [ACD/IUPAC Name]
(17β)-3-Oxoandrost-4-en-17-yl-2-hydroxy-3-oxododecanoat [German] [ACD/IUPAC Name]
285-702-7 [EINECS]
2-Hydroxy-3-oxododécanoate de (17β)-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
85135-81-5 [RN]
Dodecanoic acid, 2-hydroxy-3-oxo-, (17β)-3-oxoandrost-4-en-17-yl ester [ACD/Index Name]
17β-hydroxyandrost-4-en-3-one decanoylglycolate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.6±6.0 kJ/mol
Flash Point: 190.7±25.0 °C
Index of Refraction: 1.536
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 8.11
ACD/BCF (pH 5.5): 865471.94
ACD/KOC (pH 5.5): 618624.50
ACD/LogD (pH 7.4): 8.11
ACD/BCF (pH 7.4): 850649.06
ACD/KOC (pH 7.4): 608029.38
Polar Surface Area: 81 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 451.1±5.0 cm3

Click to predict properties on the Chemicalize site


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