ChemSpider 2D Image | Dimethyl (4R,6S,7S)-4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate | C22H23NO7

Dimethyl (4R,6S,7S)-4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

  • Molecular FormulaC22H23NO7
  • Average mass413.421 Da
  • Monoisotopic mass413.147461 Da
  • ChemSpider ID62516210

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,6S,7S)-4-(1,3-Benzodioxol-5-yl)-2,7-diméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinoléinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
3,6-Quinolinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2,7-dimethyl-5-oxo-, dimethyl ester, (4R,6S,7S)- [ACD/Index Name]
Dimethyl (4R,6S,7S)-4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate [ACD/IUPAC Name]
Dimethyl-(4R,6S,7S)-4-(1,3-benzodioxol-5-yl)-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: 1.4±0.1 g/cm3
Boiling Point: 556.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.2±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.90
ACD/KOC (pH 5.5): 986.16
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.90
ACD/KOC (pH 7.4): 986.14
Polar Surface Area: 100 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 304.8±5.0 cm3

Click to predict properties on the Chemicalize site


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