ChemSpider 2D Image | Methyl 2-methyl-2-propanyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C20H24N2O6

Methyl 2-methyl-2-propanyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC20H24N2O6
  • Average mass388.414 Da
  • Monoisotopic mass388.163422 Da
  • ChemSpider ID24677438

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de méthyle et de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 1,1-dimethylethyl methyl ester, (4R)- [ACD/Index Name]
Methyl 2-methyl-2-propanyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Methyl-2-methyl-2-propanyl-(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
(+)-(R)-3-tert-butyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.7±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1320.29
ACD/KOC (pH 5.5): 5959.05
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1322.39
ACD/KOC (pH 7.4): 5968.50
Polar Surface Area: 110 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 321.8±3.0 cm3

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