ChemSpider 2D Image | Ethyl (2S,3S)-3-{[(2S,3S)-1-{[2-(4-hydroxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-pentanyl]carbamoyl}-2-oxiranecarboxylate | C20H28N2O6

Ethyl (2S,3S)-3-{[(2S,3S)-1-{[2-(4-hydroxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-pentanyl]carbamoyl}-2-oxiranecarboxylate

  • Molecular FormulaC20H28N2O6
  • Average mass392.446 Da
  • Monoisotopic mass392.194733 Da
  • ChemSpider ID20058821

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S)-3-{[(2S,3S)-1-{[2-(4-Hydroxyphényl)éthyl]amino}-3-méthyl-1-oxo-2-pentanyl]carbamoyl}-2-oxiranecarboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Oxiranecarboxylic acid, 3-[[[(1S,2S)-1-[[[2-(4-hydroxyphenyl)ethyl]amino]carbonyl]-2-methylbutyl]amino]carbonyl]-, ethyl ester, (2S,3S)- [ACD/Index Name]
Ethyl (2S,3S)-3-{[(2S,3S)-1-{[2-(4-hydroxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-pentanyl]carbamoyl}-2-oxiranecarboxylate [ACD/IUPAC Name]
Ethyl-(2S,3S)-3-{[(2S,3S)-1-{[2-(4-hydroxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-pentanyl]carbamoyl}-2-oxirancarboxylat [German] [ACD/IUPAC Name]
262381-84-0 [RN]
MFCD16660940
xsc-2

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 662.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.9±3.0 kJ/mol
    Flash Point: 354.3±31.5 °C
    Index of Refraction: 1.548
    Molar Refractivity: 101.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 1.85
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 6.59
    ACD/KOC (pH 5.5): 134.26
    ACD/LogD (pH 7.4): 1.38
    ACD/BCF (pH 7.4): 6.58
    ACD/KOC (pH 7.4): 133.91
    Polar Surface Area: 117 Å2
    Polarizability: 40.3±0.5 10-24cm3
    Surface Tension: 51.0±3.0 dyne/cm
    Molar Volume: 319.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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