ChemSpider 2D Image | Ethyl (1R)-1-({(4R)-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-1-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-nonenoyl]-L-prolyl}amino)-2-vinylcyclopropanecarboxylate | C43H54N4O8

Ethyl (1R)-1-({(4R)-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-1-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-nonenoyl]-L-prolyl}amino)-2-vinylcyclopropanecarboxylate

  • Molecular FormulaC43H54N4O8
  • Average mass754.911 Da
  • Monoisotopic mass754.394165 Da
  • ChemSpider ID9665954

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R)-1-({(4R)-4-[(7-Méthoxy-2-phényl-4-quinoléinyl)oxy]-1-[(2S)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-8-nonenoyl]-L-prolyl}amino)-2-vinylcyclopropanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 1-[[[(2S,4R)-1-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-8-nonen-1-yl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinyl]carbonyl]amino]-2-ethenyl-, ethyl ester, (1R)- [ACD/Index Name]
Ethyl (1R)-1-({(4R)-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-1-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-nonenoyl]-L-prolyl}amino)-2-vinylcyclopropanecarboxylate [ACD/IUPAC Name]
Ethyl-(1R)-1-({(4R)-4-[(7-methoxy-2-phenyl-4-chinolinyl)oxy]-1-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-nonenoyl]-L-prolyl}amino)-2-vinylcyclopropancarboxylat [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: 884.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 488.7±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 210.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 8.33
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 21894.06
ACD/KOC (pH 5.5): 27872.63
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 107818.88
ACD/KOC (pH 7.4): 137260.80
Polar Surface Area: 145 Å2
Polarizability: 83.4±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 615.9±5.0 cm3

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