ChemSpider 2D Image | (~2~H_5_)Ethyl methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C18H14D5Cl2NO4

(2H5)Ethyl methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC18H14D5Cl2NO4
  • Average mass389.285 Da
  • Monoisotopic mass388.100494 Da
  • ChemSpider ID48061873

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H5)Ethyl methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
(2H5)Ethyl-methyl-(4R)-4-(2,3-dichlorphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
(4R)-4-(2,3-Dichlorophényl)-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de (2H5)éthyle et de méthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, ethyl-d5 methyl ester, (4R)- [ACD/Index Name]
1217716-73-8 [RN]
1217744-87-0 [RN]
3-O-methyl 5-O-(1,1,2,2,2-pentadeuterioethyl) (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 471.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 239.0±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2918.77
ACD/KOC (pH 5.5): 10514.28
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2923.59
ACD/KOC (pH 7.4): 10531.62
Polar Surface Area: 65 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 300.8±3.0 cm3

Click to predict properties on the Chemicalize site


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