ChemSpider 2D Image | 3-[(3alpha,5alpha,9beta,10alpha,13alpha,14beta,17beta)-3-Hydroxy-4,4,14-trimethylandrost-7-en-17-yl]-1H-pyrrole-2,5-dione | C26H37NO3

3-[(3α,5α,9β,10α,13α,14β,17β)-3-Hydroxy-4,4,14-trimethylandrost-7-en-17-yl]-1H-pyrrole-2,5-dione

  • Molecular FormulaC26H37NO3
  • Average mass411.577 Da
  • Monoisotopic mass411.277344 Da
  • ChemSpider ID113608676

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1H-Pyrrole-2,5-dione, 3-[(3α,5α,9β,10α,13α,14β,17β)-3-hydroxy-4,4,14-trimethylandrost-7-en-17-yl]- [ACD/Index Name]
3-[(3α,5α,9β,10α,13α,14β,17β)-3-Hydroxy-4,4,14-trimethylandrost-7-en-17-yl]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[(3α,5α,9β,10α,13α,14β,17β)-3-Hydroxy-4,4,14-trimethylandrost-7-en-17-yl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[(3α,5α,9β,10α,13α,14β,17β)-3-Hydroxy-4,4,14-triméthylandrost-7-én-17-yl]-1H-pyrrole-2,5-dione [French] [ACD/IUPAC 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: 541.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 281.1±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9382.09
ACD/KOC (pH 5.5): 24255.27
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8539.48
ACD/KOC (pH 7.4): 22076.89
Polar Surface Area: 66 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 349.8±5.0 cm3

Click to predict properties on the Chemicalize site


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