Found 23 results

Search term: MF = 'C_{36}H_{39}NO_{3}'
ChemSpider 2D Image | (11beta,16alpha,17beta)-17-(Cyclopropylcarbonyl)-11-[4-(6-methoxy-3-pyridinyl)phenyl]-16-vinylestra-4,9-dien-3-one | C36H39NO3

(11β,16α,17β)-17-(Cyclopropylcarbonyl)-11-[4-(6-methoxy-3-pyridinyl)phenyl]-16-vinylestra-4,9-dien-3-one

  • Molecular FormulaC36H39NO3
  • Average mass533.700 Da
  • Monoisotopic mass533.292969 Da
  • ChemSpider ID23318740

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(11β,16α,17β)-17-(Cyclopropylcarbonyl)-11-[4-(6-methoxy-3-pyridinyl)phenyl]-16-vinylestra-4,9-dien-3-on [German] [ACD/IUPAC Name]
(11β,16α,17β)-17-(Cyclopropylcarbonyl)-11-[4-(6-methoxy-3-pyridinyl)phenyl]-16-vinylestra-4,9-dien-3-one [ACD/IUPAC Name]
(11β,16α,17β)-17-(Cyclopropylcarbonyl)-11-[4-(6-méthoxy-3-pyridinyl)phényl]-16-vinylestra-4,9-dién-3-one [French] [ACD/IUPAC Name]
(11β,16α,17β)-17-(cyclopropylcarbonyl)-16-ethenyl-11-[4-(6-methoxypyridin-3-yl)phenyl]estra-4,9-dien-3-one
Estra-4,9-dien-3-one, 17-(cyclopropylcarbonyl)-16-ethenyl-11-[4-(6-methoxy-3-pyridinyl)phenyl]-, (11β,16α,17β)- [ACD/Index Name]
(11β,16α,17β)-17-(cyclopropylcarbonyl)-16-ethenyl-11-[4-(6-methoxypyridin-3-yl)phenyl]estra-4.9-dien-3-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL407371/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 701.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.2±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40664.89
ACD/KOC (pH 5.5): 69233.05
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40843.87
ACD/KOC (pH 7.4): 69537.77
Polar Surface Area: 56 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 438.8±5.0 cm3

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