ChemSpider 2D Image | 2-Methyl-2-propanyl (3S,4S)-3-{benzyl[(benzyloxy)carbonyl]amino}-4-ethoxy-1-pyrrolidinecarboxylate | C26H34N2O5

2-Methyl-2-propanyl (3S,4S)-3-{benzyl[(benzyloxy)carbonyl]amino}-4-ethoxy-1-pyrrolidinecarboxylate

  • Molecular FormulaC26H34N2O5
  • Average mass454.559 Da
  • Monoisotopic mass454.246765 Da
  • ChemSpider ID29211836

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-3-{Benzyl[(benzyloxy)carbonyl]amino}-4-éthoxy-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl (3S,4S)-3-ethoxy-4-[[(phenylmethoxy)carbonyl](phenylmethyl)amino]-1-pyrrolidinecarboxylate
1-Pyrrolidinecarboxylic acid, 3-ethoxy-4-[[(phenylmethoxy)carbonyl](phenylmethyl)amino]-, 1,1-dimethylethyl ester, (3S,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S,4S)-3-{benzyl[(benzyloxy)carbonyl]amino}-4-ethoxy-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S,4S)-3-{benzyl[(benzyloxy)carbonyl]amino}-4-ethoxy-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
708273-39-6 [RN]
(3s,4s)-tert-butyl 3-(benzyl((benzyloxy)carbonyl)amino)-4-ethoxypyrrolidine-1-carboxylate
(3S,4S)-tert-butyl 3-(benzyl(benzyloxycarbonyl)amino)-4-ethoxypyrrolidine-1-carboxylate
(3S,4S)-tert-butyl-3-(benzyl(benzyloxycarbonyl)amino)-4-ethoxypyrrolidine-1-carboxylate
CS-14188
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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: 567.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.1±3.0 kJ/mol
    Flash Point: 296.7±30.1 °C
    Index of Refraction: 1.575
    Molar Refractivity: 127.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 4.82
    ACD/LogD (pH 5.5): 4.80
    ACD/BCF (pH 5.5): 2622.03
    ACD/KOC (pH 5.5): 9742.19
    ACD/LogD (pH 7.4): 4.80
    ACD/BCF (pH 7.4): 2622.03
    ACD/KOC (pH 7.4): 9742.19
    Polar Surface Area: 68 Å2
    Polarizability: 50.5±0.5 10-24cm3
    Surface Tension: 49.9±5.0 dyne/cm
    Molar Volume: 385.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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