ChemSpider 2D Image | 3-Ethyl 6-methyl (4R,6S,7S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate | C24H29NO8

3-Ethyl 6-methyl (4R,6S,7S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

  • Molecular FormulaC24H29NO8
  • Average mass459.489 Da
  • Monoisotopic mass459.189331 Da
  • ChemSpider ID62420155

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,6S,7S)-4-(4-Hydroxy-3,5-diméthoxyphényl)-2,7-diméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinoléinedicarboxylate de 3-éthyle et de 6-méthyle [French] [ACD/IUPAC Name]
3,6-Quinolinedicarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-, 3-ethyl 6-methyl ester, (4R,6S,7S)- [ACD/Index Name]
3-Ethyl 6-methyl (4R,6S,7S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate [ACD/IUPAC Name]
3-Ethyl-6-methyl-(4R,6S,7S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-chinolindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 320.1±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.32
ACD/KOC (pH 5.5): 550.27
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.13
ACD/KOC (pH 7.4): 548.11
Polar Surface Area: 120 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 352.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement