ChemSpider 2D Image | (3beta)-17-Chloro-16-formylandrosta-5,15-dien-3-yl acetate | C22H29ClO3

(3β)-17-Chloro-16-formylandrosta-5,15-dien-3-yl acetate

  • Molecular FormulaC22H29ClO3
  • Average mass376.917 Da
  • Monoisotopic mass376.180511 Da
  • ChemSpider ID30783440

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3β)-17-Chlor-16-formylandrosta-5,15-dien-3-yl-acetat [German] [ACD/IUPAC Name]
(3β)-17-Chloro-16-formylandrosta-5,15-dien-3-yl acetate [ACD/IUPAC Name]
Acétate de (3β)-17-chloro-16-formylandrosta-5,15-dién-3-yle [French] [ACD/IUPAC Name]
Androsta-5,15-diene-16-carboxaldehyde, 3-(acetyloxy)-17-chloro-, (3β)- [ACD/Index Name]
(3S,8R,9S,10R,13S,14S)-17-Chloro-16-formyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylacetate
[1865-56-1] [RN]
1865-56-1 [RN]
MFCD16039232

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

Density: 1.2±0.1 g/cm3
Boiling Point: 484.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 165.1±27.7 °C
Index of Refraction: 1.558
Molar Refractivity: 102.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2049.58
ACD/KOC (pH 5.5): 8167.46
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2049.58
ACD/KOC (pH 7.4): 8167.46
Polar Surface Area: 43 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 316.5±5.0 cm3

Click to predict properties on the Chemicalize site


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