ChemSpider 2D Image | (3alpha,5alpha,17beta)-17-Hydroxyandrostan-3-yl acetate | C21H34O3

(3α,5α,17β)-17-Hydroxyandrostan-3-yl acetate

  • Molecular FormulaC21H34O3
  • Average mass334.493 Da
  • Monoisotopic mass334.250793 Da
  • ChemSpider ID23933292

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3aS,3bR,5aS,7R,9aS,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate
(3α,5α,17β)-17-Hydroxyandrostan-3-yl acetate [ACD/IUPAC Name]
(3α,5α,17β)-17-Hydroxyandrostan-3-yl-acetat [German] [ACD/IUPAC Name]
1600-76-6 [RN]
Acétate de (3α,5α,17β)-17-hydroxyandrostan-3-yle [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 3-acetate, (3α,5α,17β)- [ACD/Index Name]
(3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
5α-Androstan-3α,17β-diol 3-acetate
5α-Androstan-3α,17β-diol3-acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 426.8±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 164.4±14.0 °C
Index of Refraction: 1.534
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1952.52
ACD/KOC (pH 5.5): 7888.69
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1952.52
ACD/KOC (pH 7.4): 7888.69
Polar Surface Area: 47 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 303.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement