ChemSpider 2D Image | 3,7,15-Trihydroxyandrost-5-en-17-one | C19H28O4

3,7,15-Trihydroxyandrost-5-en-17-one

  • Molecular FormulaC19H28O4
  • Average mass320.423 Da
  • Monoisotopic mass320.198761 Da
  • ChemSpider ID24540990

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(1S,11S,15S,2R,10R)-5,9,12-Trihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)heptadec-7-en-14-one
2963-69-1 [RN]
3,7,15-Trihydroxyandrost-5-en-17-on [German] [ACD/IUPAC Name]
3,7,15-Trihydroxyandrost-5-en-17-one [ACD/IUPAC Name]
3,7,15-Trihydroxyandrost-5-én-17-one [French] [ACD/IUPAC Name]
Androst-5-en-17-one, 3,7,15-trihydroxy- [ACD/Index Name]
L E5 B666 FV LUTJ A1 E1 HQ KQ OQ &&(3β,7α,15α)- Form [WLN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 280.8±26.6 °C
Index of Refraction: 1.597
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.90
ACD/KOC (pH 5.5): 92.25
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.90
ACD/KOC (pH 7.4): 92.25
Polar Surface Area: 78 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 252.9±5.0 cm3

Click to predict properties on the Chemicalize site


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