ChemSpider 2D Image | (2R)-Tetrahydro-2-furanylmethyl (4S)-4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C25H31NO6

(2R)-Tetrahydro-2-furanylmethyl (4S)-4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC25H31NO6
  • Average mass441.517 Da
  • Monoisotopic mass441.215149 Da
  • ChemSpider ID62606877

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-Tetrahydro-2-furanylmethyl (4S)-4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
(2R)-Tetrahydro-2-furanylmethyl-(4S)-4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
(4S)-4-(3-Hydroxy-4-méthoxyphényl)-2,7,7-triméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de (2R)-tétrahydro-2-furanylméthyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-, [(2R)-tetrahydro-2-furanyl]methyl ester, (4S)- [ACD/Index 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: 631.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 335.9±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 118.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 98.27
ACD/KOC (pH 5.5): 928.49
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.76
ACD/KOC (pH 7.4): 923.69
Polar Surface Area: 94 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 347.4±5.0 cm3

Click to predict properties on the Chemicalize site


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