Account (2R,4S,5R,6R)-5-acetamido-2-(((2R,3R,4S,5R,6S)-6-(((2R,3S,4R,5R,6S)-5-acetamido-6-(((2R,3S,4S,5S,6R)-2-(((2R,3R,4S,5S,6S)-2-((((2S,3S,4S,5S,6R)-3-(((2S,3R,4R,5S,6R)-3-acetamido-5-(((2S,3R,4S,5R,6R)-6-((((2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-6-(((2R,3S,4R,5R,6S)-5-acetamido-6-(((2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-4-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methoxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACGXWW590
- CAS No. :
- 1125602-44-9
- Molecular Formula :
- C84H138N6O62
- Molecular Weight :
- 2224.01
IUPAC Name:(2R,4S,5R,6R)-5-acetamido-2-(((2R,3R,4S,5R,6S)-6-(((2R,3S,4R,5R,6S)-5-acetamido-6-(((2R,3S,4S,5S,6R)-2-(((2R,3R,4S,5S,6S)-2-((((2S,3S,4S,5S,6R)-3-(((2S,3R,4R,5S,6R)-3-acetamido-5-(((2S,3R,4S,5R,6R)-6-((((2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-6-(((2R,3S,4R,5R,6S)-5-acetamido-6-(((2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-4-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methoxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
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| Product Name | (2R,4S,5R,6R)-5-acetamido-2-(((2R,3R,4S,5R,6S)-6-(((2R,3S,4R,5R,6S)-5-acetamido-6-(((2R,3S,4S,5S,6R)-2-(((2R,3R,4S,5S,6S)-2-((((2S,3S,4S,5S,6R)-3-(((2S,3R,4R,5S,6R)-3-acetamido-5-(((2S,3R,4S,5R,6R)-6-((((2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-6-(((2R,3S,4R,5R,6S)-5-acetamido-6-(((2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-4-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methoxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2R,4S,5R,6R)-5-acetamido-2-(((2R,3R,4S,5R,6S)-6-(((2R,3S,4R,5R,6S)-5-acetamido-6-(((2R,3S,4S,5S,6R)-2-(((2R,3R,4S,5S,6S)-2-((((2S,3S,4S,5S,6R)-3-(((2S,3R,4R,5S,6R)-3-acetamido-5-(((2S,3R,4S,5R,6R)-6-((((2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-6-(((2R,3S,4R,5R,6S)-5-acetamido-6-(((2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-4-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methoxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C84H138N6O62 |
| Molecular Weight | 2224.01 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](C=O)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O |
| InChI Key | OUUDFCLKLQVGTB-YEUWVLACSA-N |
| Synonym | [Neu5Acα(2-6)]2G | 2 | GN | 2 | M | 3 | GN | 2 | -OH | Neu5Acα(2-6)Galβ(1-4)GlcNAcβ(1-2)Manα(1-3)[Neu5Acα(2-6)Galβ(1-4)GlcNAcβ(1-2)Manα(1-6)]Manβ(1-4)GlcNAcβ(1-4)GlcNAc-OH |
| CAS No. | 1125602-44-9 |
| PubChem CID | 145710389 |
Synthetic Route by SureRoute
2. ACGXWW590 Molecular Building Block Synthetic Route
(2R,4S,5R,6R)-5-acetamido-2-(((2R,3R,4S,5R,6S)-6-(((2R,3S,4R,5R,6S)-5-acetamido-6-(((2R,3S,4S,5S,6R)-2-(((2S,3S,4S,5R,6R)-2-(((2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy)-6-((((2S,3S,4S,5S,6R)-3-(((2S,3R,4R,5S,6R)-3-acetamido-5-(((2S,3R,4S,5R,6R)-6-((((2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,5-dihydroxytetrahydro-2H-pyran-4-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methoxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
(2R,4S,5R,6R)-2-(((2R,3R,4S,5R,6S)-6-(((2R,3S,4R,5R,6S)-5-Acetamido-6-(((2R,3S,4S,5S,6R)-2-(((2R,3R,4S,5S,6S)-2-((((2S,3S,4S,5S,6R)-3-(((2S,3R,4R,5S,6R)-3-acetamido-5-(((2S,3R,4S,5R,6R)-6-((((2R,4S,5R,6R)-2-carboxy-4-hydroxy-5-(2-hydroxyacetamido)-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-6-(((2R,3S,4R,5R,6S)-5-acetamido-6-(((2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-4-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methoxy)-4-hydroxy-5-(2-hydroxyacetamido)-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
(2S,4S,5R,6R)-5-Acetamido-2-(((2S,3R,4S,5S,6R)-2-(((2R,3R,4R,5R)-5-acetamido-1,2-dihydroxy-6-oxo-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexan-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid