ChemSpider 2D Image | (2R)-2-[(2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)(2-aminobutanoyl)amino]-5-amino-5-oxopentanoic acid | C20H34N4O11

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

  • Molecular FormulaC20H34N4O11
  • Average mass506.504 Da
  • Monoisotopic mass506.222412 Da
  • ChemSpider ID150145

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(2R)-2-[(2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)(2-aminobutanoyl)amino]-5-amino-5-oxopentanoic acid [ACD/IUPAC Name]
(2R)-2-[(2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)(2-aminobutanoyl)amino]-5-amino-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-[(2-{[(2S,3R,4R,5S,6R)-3-acétamido-2,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}propanoyl)(2-aminobutanoyl)amino]-5-amino-5-oxopentanoïque [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-(acetylamino)-3-O-[2-[[(1R)-4-amino-1-carboxy-4-oxobutyl](2-amino-1-oxobutyl)amino]-1-methyl-2-oxoethyl]-2-deoxy- [ACD/Index Name]
(2R)-2-[N-(2-AMINOBUTANOYL)-2-{[(2S,3R,4R,5S,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-4-YL]OXY}PROPANAMIDO]-4-CARBAMOYLBUTANOIC ACID
66112-58-1 [RN]
Abu-mdp
Aminobutyryl muramyl dipeptide
D-α-Glutamine, Nα-(N-acetylmuramoyl)-L-α-aminobutyrl-
N-Acetylmuramyl-aminobutyryl-isoglutamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 905.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.4±6.0 kJ/mol
Flash Point: 501.1±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -4.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 350.2±5.0 cm3

Click to predict properties on the Chemicalize site


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