ChemSpider 2D Image | (4aR,4bR,6R,7S,8aR,9R,10aR)-6-Hydroxy-7-isopropyl-1,1-dimethyl-5,8-dioxotetradecahydro-9-phenanthrenyl acetate | C21H32O5

(4aR,4bR,6R,7S,8aR,9R,10aR)-6-Hydroxy-7-isopropyl-1,1-dimethyl-5,8-dioxotetradecahydro-9-phenanthrenyl acetate

  • Molecular FormulaC21H32O5
  • Average mass364.476 Da
  • Monoisotopic mass364.224976 Da
  • ChemSpider ID62616901

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aR,4bR,6R,7S,8aR,9R,10aR)-6-Hydroxy-7-isopropyl-1,1-dimethyl-5,8-dioxotetradecahydro-9-phenanthrenyl acetate [ACD/IUPAC Name]
(4aR,4bR,6R,7S,8aR,9R,10aR)-6-Hydroxy-7-isopropyl-1,1-dimethyl-5,8-dioxotetradecahydro-9-phenanthrenyl-acetat [German] [ACD/IUPAC Name]
1,4-Phenanthrenedione, 10-(acetyloxy)dodecahydro-3-hydroxy-8,8-dimethyl-2-(1-methylethyl)-, (2S,3R,4aR,4bR,8aR,10R,10aR)- [ACD/Index Name]
Acétate de (4aR,4bR,6R,7S,8aR,9R,10aR)-6-hydroxy-7-isopropyl-1,1-diméthyl-5,8-dioxotétradécahydro-9-phénanthrényle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 490.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 164.9±22.2 °C
Index of Refraction: 1.522
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.36
ACD/KOC (pH 5.5): 1288.75
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.35
ACD/KOC (pH 7.4): 1288.70
Polar Surface Area: 81 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 316.9±5.0 cm3

Click to predict properties on the Chemicalize site


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