ChemSpider 2D Image | (4R)-4-{[(2R)-2-{[(2R)-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 (non-preferred name) | C19H32N4O11

(4R)-4-{[(2R)-2-{[(2R)-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 (non-preferred name)

  • Molecular FormulaC19H32N4O11
  • Average mass492.478 Da
  • Monoisotopic mass492.206757 Da
  • ChemSpider ID58133013

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4R)-4-{[(2R)-2-{[(2R)-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 (non-preferred name) [ACD/IUPAC Name]
(4R)-4-{[(2R)-2-{[(2R)-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 (non-preferred name) [German] [ACD/IUPAC Name]
Acide (4R)-4-{[(2R)-2-{[(2R)-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 (non-preferred name) [French] [ACD/IUPAC Name]
(R)-4-((R)-2-((R)-2-(((2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propanamido)propanamido)-5-amino-5-oxopentanoic acid
56816-18-3 [RN]
ac-muramyl-d-ala-d-glu-nh2

    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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