ChemSpider 2D Image | (2alpha,3alpha,5alpha,8alpha)-3-Iodoandrostan-2-yl acetate | C21H33IO2

(2α,3α,5α,8α)-3-Iodoandrostan-2-yl acetate

  • Molecular FormulaC21H33IO2
  • Average mass444.390 Da
  • Monoisotopic mass444.152527 Da
  • ChemSpider ID62634864

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α,3α,5α,10α,13α,14β)-3-Iodandrostan-2-yl-acetat [German] [ACD/IUPAC Name]
(2α,3α,5α,10α,13α,14β)-3-Iodoandrostan-2-yl acetate [ACD/IUPAC Name]
(2α,3α,5α,8α)-3-Iodandrostan-2-yl-acetat [German] [ACD/IUPAC Name]
(2α,3α,5α,8α)-3-Iodoandrostan-2-yl acetate [ACD/IUPAC Name]
Acétate de (2α,3α,5α,10α,13α,14β)-3-iodoandrostan-2-yle [French] [ACD/IUPAC Name]
Acétate de (2α,3α,5α,8α)-3-iodoandrostan-2-yle [French] [ACD/IUPAC Name]
Androstan-2-ol, 3-iodo-, acetate, (2α,3α,5α,10α,13α,14β)- [ACD/Index Name]
Androstan-2-ol, 3-iodo-, acetate, (2α,3α,5α,8α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 448.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 225.0±24.0 °C
Index of Refraction: 1.562
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40230.78
ACD/KOC (pH 5.5): 68790.09
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 40230.78
ACD/KOC (pH 7.4): 68790.09
Polar Surface Area: 26 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 326.0±5.0 cm3

Click to predict properties on the Chemicalize site


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