ChemSpider 2D Image | Diethyl 4-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,6-dimethyl-1-(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C28H37NO8

Diethyl 4-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,6-dimethyl-1-(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC28H37NO8
  • Average mass515.595 Da
  • Monoisotopic mass515.251892 Da
  • ChemSpider ID24750144

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-1-(4-methylphenyl)-4-[(3aS,5S,6R,6aS)-tetrahydro-6-methoxy-2,2-dimethylfuro[2,3-d]-1,3-dioxol-5-yl]-, diethyl ester [ACD/Index Name]
4-[(3aS,5S,6R,6aS)-6-Méthoxy-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,6-diméthyl-1-(4-méthylphényl)-1,4-dihydro-3,5-pyridinedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 4-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,6-dimethyl-1-(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Diethyl-4-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,6-dimethyl-1-(4-methylphenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
2,6-Dimethyl-4-(1',2'-O-isopropylidene-3'-O-methyl-β-L-threo-pentofuranos-4'-yl)-1-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarbetaoxylicaciddiethylester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.6±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3567.76
ACD/KOC (pH 5.5): 12145.05
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3567.76
ACD/KOC (pH 7.4): 12145.05
Polar Surface Area: 93 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 417.5±5.0 cm3

Click to predict properties on the Chemicalize site


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