ChemSpider 2D Image | 20,21,22,23-tetrahydro-23-oxoazadirone | C28H38O5

20,21,22,23-tetrahydro-23-oxoazadirone

  • Molecular FormulaC28H38O5
  • Average mass454.598 Da
  • Monoisotopic mass454.271912 Da
  • ChemSpider ID26347743

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5α,7α,13α,17α,20S)-7-Acetoxy-4,4,8-trimethyl-3-oxocarda-1,14-dienolid [German] [ACD/IUPAC Name]
(5α,7α,13α,17α,20S)-7-Acetoxy-4,4,8-trimethyl-3-oxocarda-1,14-dienolide [ACD/IUPAC Name]
(5α,7α,13α,17α,20S)-7-Acétoxy-4,4,8-triméthyl-3-oxocarda-1,14-diénolide [French] [ACD/IUPAC Name]
157376-71-1 [RN]
20,21,22,23-tetrahydro-23-oxoazadirone
Carda-1,14-dienolide, 7-(acetyloxy)-4,4,8-trimethyl-3-oxo-, (5α,7α,13α,17α,20S)- [ACD/Index Name]
(5α,7α,13α,17α,20S)-7-(acetyloxy)-4,4,8-trimethyl-3-oxocarda-1,14-dienolide
Chisocheton compound F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 572.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 243.1±30.2 °C
Index of Refraction: 1.559
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1766.36
ACD/KOC (pH 5.5): 7342.73
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1766.36
ACD/KOC (pH 7.4): 7342.73
Polar Surface Area: 70 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 386.9±5.0 cm3

Click to predict properties on the Chemicalize site


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