ChemSpider 2D Image | (4S)-4-({(2S)-2-[(2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-5-amino-5-oxopentanoic acid | C19H32N4O11

(4S)-4-({(2S)-2-[(2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-5-amino-5-oxopentanoic acid

  • Molecular FormulaC19H32N4O11
  • Average mass492.478 Da
  • Monoisotopic mass492.206757 Da
  • ChemSpider ID29361640

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(4S)-4-({(2S)-2-[(2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-5-amino-5-oxopentanoic acid [ACD/IUPAC Name]
(4S)-4-({(2S)-2-[(2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-5-amino-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (4S)-4-({(2S)-2-[(2-{[(2S,3R,4R,5S,6R)-3-acétamido-2,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-5-amino-5-oxopentanoïque [French] [ACD/IUPAC Name]
(4S)-4-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoic acid
59331-38-3 [RN]
AC-MURAMYL-ALA-GLU-NH2
N-Acetylmuramyl-L-alanyl-L-isoglutamine

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 1023.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 169.4±6.0 kJ/mol
    Flash Point: 572.9±34.3 °C
    Index of Refraction: 1.578
    Molar Refractivity: 112.6±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 9
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: -2.97
    ACD/LogD (pH 5.5): -3.96
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 247 Å2
    Polarizability: 44.6±0.5 10-24cm3
    Surface Tension: 73.9±5.0 dyne/cm
    Molar Volume: 339.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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