ChemSpider 2D Image | Isopropyl (4R,7R)-4-(4-acetoxy-3-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C30H33NO6

Isopropyl (4R,7R)-4-(4-acetoxy-3-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC30H33NO6
  • Average mass503.586 Da
  • Monoisotopic mass503.230774 Da
  • ChemSpider ID62310641

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,7R)-4-(4-Acétoxy-3-éthoxyphényl)-2-méthyl-5-oxo-7-phényl-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate d'isopropyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 4-[4-(acetyloxy)-3-ethoxyphenyl]-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-, 1-methylethyl ester, (4R,7R)- [ACD/Index Name]
Isopropyl (4R,7R)-4-(4-acetoxy-3-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Isopropyl-(4R,7R)-4-(4-acetoxy-3-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 620.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.3±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3304.49
ACD/KOC (pH 5.5): 11496.48
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3304.60
ACD/KOC (pH 7.4): 11496.87
Polar Surface Area: 91 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 408.3±5.0 cm3

Click to predict properties on the Chemicalize site


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