ChemSpider 2D Image | (3beta,16alpha,17alpha)-Androst-5-ene-3,16,17-triol | C19H30O3

(3β,16α,17α)-Androst-5-ene-3,16,17-triol

  • Molecular FormulaC19H30O3
  • Average mass306.440 Da
  • Monoisotopic mass306.219482 Da
  • ChemSpider ID13628104

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,8R,9S,10R,13S,14S,16R,17S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3,16,17-triol
(3S,8R,9S,10R,13S,14S,16R,17S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol
(3S,8R,9S,10R,13S,14S,16R,17S)-10,13-Diméthyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrène-3,16,17-triol
(3β,16α,17α)-Androst-5-en-3,16,17-triol [German] [ACD/IUPAC Name]
(3β,16α,17α)-Androst-5-ene-3,16,17-triol [ACD/IUPAC Name]
(3β,16α,17α)-Androst-5-ène-3,16,17-triol [French] [ACD/IUPAC Name]
23409-40-7 [RN]
Androst-5-ene-3,16,17-triol, (3β,16α,17α)- [ACD/Index Name]
(1S,2R,5S,10R,11S,13R,14S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-ene-5,13,14-triol
(1S,2R,5S,10R,11S,13R,14S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-ene-5,13,14-triol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.2±0.1 g/cm3
Boiling Point: 449.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 205.0±23.3 °C
Index of Refraction: 1.587
Molar Refractivity: 86.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.80
ACD/KOC (pH 5.5): 771.05
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.80
ACD/KOC (pH 7.4): 771.05
Polar Surface Area: 61 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 256.0±5.0 cm3

Click to predict properties on the Chemicalize site


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