ChemSpider 2D Image | (3beta,8xi,9xi,14xi)-17-Chloro-16-formylandrosta-5,16-dien-3-yl acetate | C22H29ClO3

(3β,8ξ,9ξ,14ξ)-17-Chloro-16-formylandrosta-5,16-dien-3-yl acetate

  • Molecular FormulaC22H29ClO3
  • Average mass376.917 Da
  • Monoisotopic mass376.180511 Da
  • ChemSpider ID29359007

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ)-17-Chlor-16-formylandrosta-5,16-dien-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ)-17-Chloro-16-formylandrosta-5,16-dien-3-yl acetate [ACD/IUPAC Name]
Acétate de (3β,8ξ,9ξ,14ξ)-17-chloro-16-formylandrosta-5,16-dién-3-yle [French] [ACD/IUPAC Name]
Androsta-5,16-diene-16-carboxaldehyde, 3-(acetyloxy)-17-chloro-, (3β,8ξ,9ξ,14ξ)- [ACD/Index Name]
1865-56-1 [RN]
3??-ACETOXY-17-CHLORO-16-FORMYLANDROSTA-5,16-DIENEG

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

Density: 1.2±0.1 g/cm3
Boiling Point: 468.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 157.4±27.7 °C
Index of Refraction: 1.558
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3311.27
ACD/KOC (pH 5.5): 11513.47
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3311.27
ACD/KOC (pH 7.4): 11513.47
Polar Surface Area: 43 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 315.7±5.0 cm3

Click to predict properties on the Chemicalize site


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