ChemSpider 2D Image | Methyl (7R,8S)-7-{[(2S,3S)-1-(allyloxy)-3-methyl-1-oxo-2-pentanyl]amino}-4-[(1S)-1-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}ethyl]-8-hydroxy-7,8-dihydro-2-quinolinecarboxylate | C28H44N2O6Si

Methyl (7R,8S)-7-{[(2S,3S)-1-(allyloxy)-3-methyl-1-oxo-2-pentanyl]amino}-4-[(1S)-1-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}ethyl]-8-hydroxy-7,8-dihydro-2-quinolinecarboxylate

  • Molecular FormulaC28H44N2O6Si
  • Average mass532.744 Da
  • Monoisotopic mass532.296875 Da
  • ChemSpider ID9528033

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(7R,8S)-7-{[(2S,3S)-1-(Allyloxy)-3-méthyl-1-oxo-2-pentanyl]amino}-4-[(1S)-1-{[diméthyl(2-méthyl-2-propanyl)silyl]oxy}éthyl]-8-hydroxy-7,8-dihydro-2-quinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Quinolinecarboxylic acid, 4-[(1S)-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7,8-dihydro-8-hydroxy-7-[[(1S,2S)-2-methyl-1-[(2-propen-1-yloxy)carbonyl]butyl]amino]-, methyl ester, (7R,8S)- [ACD/Index Name]
Methyl (7R,8S)-7-{[(2S,3S)-1-(allyloxy)-3-methyl-1-oxo-2-pentanyl]amino}-4-[(1S)-1-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}ethyl]-8-hydroxy-7,8-dihydro-2-quinolinecarboxylate [ACD/IUPAC Name]
Methyl-(7R,8S)-7-{[(2S,3S)-1-(allyloxy)-3-methyl-1-oxo-2-pentanyl]amino}-4-[(1S)-1-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}ethyl]-8-hydroxy-7,8-dihydro-2-chinolincarboxylat [German] [ACD/IUPAC 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: 601.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.7±31.5 °C
Index of Refraction: 1.527
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1624.69
ACD/KOC (pH 5.5): 6839.75
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1688.58
ACD/KOC (pH 7.4): 7108.70
Polar Surface Area: 107 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 481.5±5.0 cm3

Click to predict properties on the Chemicalize site


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