ChemSpider 2D Image | 6-Benzyl 4a-ethyl 1-(2-methyl-2-propanyl) (4aR,7aS)-tetrahydro-1H-pyrrolo[3,4-b]pyridine-1,4a,6(2H,5H)-tricarboxylate | C23H32N2O6

6-Benzyl 4a-ethyl 1-(2-methyl-2-propanyl) (4aR,7aS)-tetrahydro-1H-pyrrolo[3,4-b]pyridine-1,4a,6(2H,5H)-tricarboxylate

  • Molecular FormulaC23H32N2O6
  • Average mass432.510 Da
  • Monoisotopic mass432.226044 Da
  • ChemSpider ID48064160

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,7aS)-Tétrahydro-1H-pyrrolo[3,4-b]pyridine-1,4a,6(2H,5H)-tricarboxylate de 6-benzyle et de 4a-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1H-Pyrrolo[3,4-b]pyridine-1,4a,6(2H,5H)-tricarboxylic acid, tetrahydro-, 1-(1,1-dimethylethyl) 4a-ethyl 6-(phenylmethyl) ester, (4aR,7aS)- [ACD/Index Name]
6-Benzyl 4a-ethyl 1-(2-methyl-2-propanyl) (4aR,7aS)-tetrahydro-1H-pyrrolo[3,4-b]pyridine-1,4a,6(2H,5H)-tricarboxylate [ACD/IUPAC Name]
6-Benzyl-4a-ethyl-1-(2-methyl-2-propanyl)-(4aR,7aS)-tetrahydro-1H-pyrrolo[3,4-b]pyridin-1,4a,6(2H,5H)-tricarboxylat [German] [ACD/IUPAC Name]
(4aR,7aS)-6-benzyl 1-tert-butyl 4a-ethyl hexahydro-1H-pyrrolo[3,4-b]pyridine-1,4a,6(2H)-tricarboxylate
1341035-19-5 [RN]
2380963-47-1 [RN]
6-benzyl 1-tert-butyl 4a-ethyl (4aR,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-1,4a,6-tricarboxylate
Cis-tetrahydro-pyrrolo[3,4-b]pyridine-1,4a,6-tricarboxylic acid 6-benzyl ester 1-tert-butyl ester 4a-ethyl ester
cis-tetrahydro-pyrrolo[3,4-b]pyridine-1,4a,6-tricarboxylic acid 6-benzyl ester 1-tert-butyl ester 4a-ethyl ester(wx111041)
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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: 525.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.0±3.0 kJ/mol
    Flash Point: 271.6±30.1 °C
    Index of Refraction: 1.547
    Molar Refractivity: 113.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): 3.82
    ACD/BCF (pH 5.5): 474.39
    ACD/KOC (pH 5.5): 2865.39
    ACD/LogD (pH 7.4): 3.82
    ACD/BCF (pH 7.4): 474.39
    ACD/KOC (pH 7.4): 2865.39
    Polar Surface Area: 85 Å2
    Polarizability: 44.9±0.5 10-24cm3
    Surface Tension: 49.1±3.0 dyne/cm
    Molar Volume: 357.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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