ChemSpider 2D Image | [(3beta,5beta,9beta,13alpha,14beta,20S)-Cholestan-3-yloxy][(4-heptanylideneamino)oxy]methanone | C35H61NO3

[(3β,5β,9β,13α,14β,20S)-Cholestan-3-yloxy][(4-heptanylideneamino)oxy]methanone

  • Molecular FormulaC35H61NO3
  • Average mass543.864 Da
  • Monoisotopic mass543.465149 Da
  • ChemSpider ID62422352

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(3β,5β,10α,13α,14β,20S)-Cholestan-3-yloxy][(4-heptanylidenamino)oxy]methanon [German] [ACD/IUPAC Name]
[(3β,5β,10α,13α,14β,20S)-Cholestan-3-yloxy][(4-heptanylideneamino)oxy]methanone [ACD/IUPAC Name]
[(3β,5β,10α,13α,14β,20S)-Cholestan-3-yloxy][(4-heptanylidèneamino)oxy]méthanone [French] [ACD/IUPAC Name]
[(3β,5β,9β,13α,14β,20S)-Cholestan-3-yloxy][(4-heptanylidenamino)oxy]methanon [German] [ACD/IUPAC Name]
[(3β,5β,9β,13α,14β,20S)-Cholestan-3-yloxy][(4-heptanylideneamino)oxy]methanone [ACD/IUPAC Name]
[(3β,5β,9β,13α,14β,20S)-Cholestan-3-yloxy][(4-heptanylidèneamino)oxy]méthanone [French] [ACD/IUPAC Name]
4-Heptanone, O-[[(3β,5β,10α,13α,14β,20S)-cholestan-3-yloxy]carbonyl]oxime [ACD/Index Name]
4-Heptanone, O-[[(3β,5β,9β,13α,14β,20S)-cholestan-3-yloxy]carbonyl]oxime [ACD/Index 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: 581.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 123.1±19.8 °C
Index of Refraction: 1.552
Molar Refractivity: 160.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 13.62
ACD/LogD (pH 5.5): 11.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 48 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 36.1±7.0 dyne/cm
Molar Volume: 500.8±7.0 cm3

Click to predict properties on the Chemicalize site


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