N-Acetyl-D-glucosaminyl-(1-4)-N-acetylmuramic Acid supplier

Name
N-Acetyl-D-glucosaminyl-(1-4)-N-acetylmuramic Acid
EINECS
CAS No. 41137-10-4
Density 1.531 g/cm³
Solubility
Melting Point 169-171 °C
Formula C₁₉H₃₂N₂O₁₃
Boiling Point 948.882 °C at 760 mmHg
Molecular Weight 496.463
Flash Point 527.665 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2S)-2-[(2R,3S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoic acid;
PSA 233.57000
LogP -3.83040

N-Acetyl-D-glucosaminyl-(1-4)-N-acetylmuramic Acid Specification

The N-Acetyl-D-glucosaminyl-(1-4)-N-acetylmuramic Acid, with its CAS registry number 41137-10-4, has its systematic name of (2S)-2-[(2R,3S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoic acid. With its molecular formula of C₁₉H₃₂N₂O₁₃and molecular weight of 496.463, it is a kind of white solid. Besides, it belongs to the product category of Oligosaccharides.

Physical properties of N-Acetyl-D-glucosaminyl-(1-4)-N-acetylmuramic Acid: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 15; (7)#H bond donors: 8; (8)#Freely Rotating Bonds: 14; (9)Polar Surface Area: 233.57 Å²; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 109.52 cm³; (12)Molar Volume: 324.207 cm³; (13)Polarizability: 43.417×10^-24cm³; (14)Surface Tension: 78.552 dyne/cm; (15)Density: 1.531 g/cm³; (16)Flash Point: 527.665 °C; (17)Enthalpy of Vaporization: 156.656 kJ/mol; (18)Boiling Point: 948.882 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

(1)SMILES:C[C@@H](C(=O)O)O[C@@H]1[C@@H]([C@@H](OC([C@H]1O[C@H]2C(C([C@@H](C(O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C
(2)InChI:InChI=1/C19H32N2O13/c1-6(17(28)29)31-16-12(21-8(3)25)18(30)32-10(5-23)15(16)34-19-11(20-7(2)24)14(27)13(26)9(4-22)33-19/h6,9-16,18-19,22-23,26-27,30H,4-5H2,1-3H3,(H,20,24)(H,21,25)(H,28,29)/t6-,9?,10?,11?,12-,13+,14?,15+,16+,18+,19-/m0/s1
(3)InChIKey:WQKIVDUWFNRJHE-VSNKGZIPBP

Product Name

N-Acetyl-D-glucosaminyl-(1-4)-N-acetylmuramic Acid

N-Acetyl-D-glucosaminyl-(1-4)-N-acetylmuramic Acid Specification

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