ChemSpider 2D Image | Methyl (2R)-2-({(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-oxopentanoate | C20H34N4O11

Methyl (2R)-2-({(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-oxopentanoate

  • Molecular FormulaC20H34N4O11
  • Average mass506.504 Da
  • Monoisotopic mass506.222412 Da
  • ChemSpider ID117582

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2R)-2-({(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-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2R)-2-({(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-oxopentanoate [ACD/IUPAC Name]
Methyl-(2R)-2-({(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-oxopentanoat [German] [ACD/IUPAC Name]
79787-27-2 [RN]
D-Glutamine, N2-(N-(N-acetylmuramoyl)-L-alanyl)-, methyl ester
METHYL (2R)-4-CARBAMOYL-2-[(2S)-2-(2-{[(2S,3R,4R,5S,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-4-YL]OXY}PROPANAMIDO)PROPANAMIDO]BUTANOATE
Murametide
N-Acetylmuramyl-alanylglutamine methyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 957.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.1±6.0 kJ/mol
Flash Point: 533.0±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.98
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
Polar Surface Area: 236 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 364.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement