| CAS Number | 108964-40-5 |
| Catalog Number | AG00IMHW(AGN-PC-0OZ1DS) |
| Chemical Name | GlcNAcβ(1-4)[Fucα(1-6)]GlcNAc |
| IUPAC Name | N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-2,4-dihydroxy-6-oxo-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
| InChI | InChI=1S/C22H38N2O15/c1-7-14(30)18(34)19(35)22(37-7)36-6-11(29)20(15(31)10(4-25)23-8(2)27)39-21-13(24-9(3)28)17(33)16(32)12(5-26)38-21/h4,7,10-22,26,29-35H,5-6H2,1-3H3,(H,23,27)(H,24,28)/t7-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+/m0/s1 |
| InChI Key | GABPZCPMDPOFMI-FYOAGJNVSA-N |
| Molecular Formula | C22H38N2O15 |
| Molecular Weight | 570.5415 |
| SMILES | C[C@@H]1O[C@@H](OC[C@@H](O)[C@@]([H])(O[C@H]2[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O |
| Synonyms | 108964-40-5,
O-2-(Acetylamino)-2-deoxy-|A-D-glucopyranosyl-(1 inverted exclamation marku4)-O-[6-deoxy-|A-L-galactopyranosyl-(1 inverted exclamation marku6)]-2-(acetylamino)-2-deoxy-D-glucose,
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| Complexity | 820 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 14 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 570.227219g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 10 |
| Isotope Atom Count | 0 |
| Molecular Weight | 570.5g/mol |
| Monoisotopic Mass | 570.227219g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 274Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -6.1 |
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Certificate of Analysis
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