ChemSpider 2D Image | Benzyl (2S)-2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propyl]-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-3-oxo-3,4-dihydro-1(2H)-pyrazinecarboxylate | C26H37N3O7

Benzyl (2S)-2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propyl]-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-3-oxo-3,4-dihydro-1(2H)-pyrazinecarboxylate

  • Molecular FormulaC26H37N3O7
  • Average mass503.588 Da
  • Monoisotopic mass503.263153 Da
  • ChemSpider ID9104469

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)propyl]-4-{2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}-3-oxo-3,4-dihydro-1(2H)-pyrazinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1(2H)-Pyrazineacetic acid, 3-[3-[[(1,1-dimethylethoxy)carbonyl]amino]propyl]-3,4-dihydro-2-oxo-4-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
Benzyl (2S)-2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propyl]-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-3-oxo-3,4-dihydro-1(2H)-pyrazinecarboxylate [ACD/IUPAC Name]
Benzyl-(2S)-2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propyl]-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-3-oxo-3,4-dihydro-1(2H)-pyrazincarboxylat [German] [ACD/IUPAC Name]
(S)-benzyl 4-(2-(tert-butoxy)-2-oxoethyl)-2-(3-((tert-butoxycarbonyl)amino)propyl)-3-oxo-3,4-dihydropyrazine-1(2H)-carboxylate
247068-71-9 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 641.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.7±3.0 kJ/mol
    Flash Point: 341.6±31.5 °C
    Index of Refraction: 1.526
    Molar Refractivity: 132.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 4.66
    ACD/LogD (pH 5.5): 3.82
    ACD/BCF (pH 5.5): 473.44
    ACD/KOC (pH 5.5): 2861.25
    ACD/LogD (pH 7.4): 3.82
    ACD/BCF (pH 7.4): 473.43
    ACD/KOC (pH 7.4): 2861.24
    Polar Surface Area: 114 Å2
    Polarizability: 52.7±0.5 10-24cm3
    Surface Tension: 44.3±3.0 dyne/cm
    Molar Volume: 432.8±3.0 cm3

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