ChemSpider 2D Image | Ethyl (2R,3aR,10Z,11aS,12aR,14aR)-2-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12 a(1H)-carboxylate | C36H41N3O6

Ethyl (2R,3aR,10Z,11aS,12aR,14aR)-2-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12 a(1H)-carboxylate

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID9608353

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3aR,10Z,11aS,12aR,14aR)-2-[(7-Méthoxy-2-phényl-4-quinoléinyl)oxy]-5-méthyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tétradécahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotétradécine-12a(1H) -carboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxylic acid, 2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-5-methyl-4,14-dioxo-, ethyl es ter, (2R,3aR,10Z,11aS,12aR,14aR)- [ACD/Index Name]
Ethyl (2R,3aR,10Z,11aS,12aR,14aR)-2-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12 a(1H)-carboxylate [ACD/IUPAC Name]
Ethyl-(2R,3aR,10Z,11aS,12aR,14aR)-2-[(7-methoxy-2-phenyl-4-chinolinyl)oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecin-12a (1H)-carboxylat [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: 791.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 432.7±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 170.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 520.66
ACD/KOC (pH 5.5): 1981.02
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2305.24
ACD/KOC (pH 7.4): 8770.97
Polar Surface Area: 107 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 509.7±3.0 cm3

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