ChemSpider 2D Image | 6-Methyl 3-(2-propoxyethyl) (4R,6R,7S)-2,7-dimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate | C28H37NO7

6-Methyl 3-(2-propoxyethyl) (4R,6R,7S)-2,7-dimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

  • Molecular FormulaC28H37NO7
  • Average mass499.596 Da
  • Monoisotopic mass499.256989 Da
  • ChemSpider ID62600258

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,6R,7S)-2,7-Diméthyl-5-oxo-4-(4-propoxyphényl)-1,4,5,6,7,8-hexahydro-3,6-quinoléinedicarboxylate de 6-méthyle et de 3-(2-propoxyéthyle) [French] [ACD/IUPAC Name]
3,6-Quinolinedicarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7-dimethyl-5-oxo-4-(4-propoxyphenyl)-, 6-methyl 3-(2-propoxyethyl) ester, (4R,6R,7S)- [ACD/Index Name]
6-Methyl 3-(2-propoxyethyl) (4R,6R,7S)-2,7-dimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate [ACD/IUPAC Name]
6-Methyl-3-(2-propoxyethyl)-(4R,6R,7S)-2,7-dimethyl-5-oxo-4-(4-propoxyphenyl)-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: 1.2±0.1 g/cm3
Boiling Point: 620.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 329.0±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1702.28
ACD/KOC (pH 5.5): 7150.99
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1702.24
ACD/KOC (pH 7.4): 7150.82
Polar Surface Area: 100 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 420.7±5.0 cm3

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