ChemSpider 2D Image | 3-Methyl 1-(2-methyl-2-propanyl) (3S,4R)-4-(5,6-dimethoxy-3-pyridinyl)-1,3-pyrrolidinedicarboxylate | C18H26N2O6

3-Methyl 1-(2-methyl-2-propanyl) (3S,4R)-4-(5,6-dimethoxy-3-pyridinyl)-1,3-pyrrolidinedicarboxylate

  • Molecular FormulaC18H26N2O6
  • Average mass366.409 Da
  • Monoisotopic mass366.179077 Da
  • ChemSpider ID25992489

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-4-(5,6-Diméthoxy-3-pyridinyl)-1,3-pyrrolidinedicarboxylate de 3-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,3-Pyrrolidinedicarboxylic acid, 4-(5,6-dimethoxy-3-pyridinyl)-, 1-(1,1-dimethylethyl) 3-methyl ester, (3S,4R)- [ACD/Index Name]
3-Methyl 1-(2-methyl-2-propanyl) (3S,4R)-4-(5,6-dimethoxy-3-pyridinyl)-1,3-pyrrolidinedicarboxylate [ACD/IUPAC Name]
3-Methyl-1-(2-methyl-2-propanyl)-(3S,4R)-4-(5,6-dimethoxy-3-pyridinyl)-1,3-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
MFCD12401651 [MDL number]
(�)-trans 1-tert-Butyl 3-methyl 4-(5,6-dimethoxypyridin-3-yl)pyrrolidine-1,3-dicarboxylate
(??)-trans 1-tert-Butyl 3-methyl 4-(5,6-dimethoxypyridin-3-yl)pyrrolidine-1,3-dicarboxylate
(3S,4R)-1-tert-butyl 3-methyl 4-(5,6-dimethoxypyridin-3-yl)pyrrolidine-1,3-dicarboxylate
(trans-racemic) 1-tert-Butyl 3-methyl 4-(5,6-dimethoxypyridin-3-yl)pyrrolidine-1,3-dicarboxylate
(trans-Racemic) 1-tert-Butyl 3-methyl 4-(5,6-di-methoxypyridin-3-yl)pyrrolidine-1,3-dicarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 450.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.9±3.0 kJ/mol
    Flash Point: 226.3±28.7 °C
    Index of Refraction: 1.516
    Molar Refractivity: 93.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.23
    ACD/LogD (pH 5.5): 2.15
    ACD/BCF (pH 5.5): 24.21
    ACD/KOC (pH 5.5): 323.86
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 28.83
    ACD/KOC (pH 7.4): 385.75
    Polar Surface Area: 87 Å2
    Polarizability: 37.1±0.5 10-24cm3
    Surface Tension: 43.7±3.0 dyne/cm
    Molar Volume: 310.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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