| CAS Number | 41137-10-4 |
| Catalog Number | AG0073BD(AGN-PC-00NZDE) |
| Chemical Name | N-Acetyl-D-glucosaminyl-(1-4)-N-acetylmuramic Acid |
| IUPAC Name | 2-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid |
| InChI | InChI=1S/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) |
| InChI Key | WQKIVDUWFNRJHE-UHFFFAOYSA-N |
| MDL Number | MFCD09839853 |
| Molecular Formula | C19H32N2O13 |
| Molecular Weight | 496.4630 |
| SMILES | OCC1OC(O)C(C(C1OC1OC(CO)C(C(C1NC(=O)C)O)O)OC(C(=O)O)C)NC(=O)C |
| Synonyms | N-Acetyl-D-glucosaminyl-(1-4)-N-acetylmuramic Acid,
41137-10-4,
CTK8G1539,
AKOS030255360,
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| Complexity | 724 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 496.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 496.466g/mol |
| Monoisotopic Mass | 496.19g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 234A^2 |
| Undefined Atom Stereocenter Count | 11 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number