Account N-((2R,3R,4R,5R,6R)-4-(((2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamide
- Catalog No. :
- ACJIJS526
- CAS No. :
- 125455-64-3
- Molecular Formula :
- C22H31N3O13
- Molecular Weight :
- 545.50
IUPAC Name:N-((2R,3R,4R,5R,6R)-4-(((2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamide
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Product Information
| Product Name | N-((2R,3R,4R,5R,6R)-4-(((2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamide |
|---|---|
| IUPAC Name | N-((2R,3R,4R,5R,6R)-4-(((2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamide |
| Molecular Formula | C22H31N3O13 |
| Molecular Weight | 545.50 |
| SMILES | N(C(C)=O)[C@@H]1[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](CO)O[C@@H]1OC3=CC=C(N(=O)=O)C=C3 |
| InChI Key | HXQAUFSCNOLKJP-VHMNXSECSA-N |
| Synonym | GlcNAc beta(1-3)GalNAc-alpha-pNP | N-[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | 4-Nitrophenyl 2-acetamido-3-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D |
| CAS No. | 125455-64-3 |
| PubChem CID | 4641266 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACJIJS526 Molecular Building Block Synthetic Route
N-((2S,3R,4R,5S,6R)-4-(((2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamide
4-Nitrophenyl 2-acetamido-3,6-di-O-(2-acetamido-2-deoxy-b-D-glucopyranosyl)-2-deoxy-a-D-galactopyranoside
4-Nitrophenyl 2-acetamido-6-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-3-O-(beta-D-galactopyranosyl)-2-deoxy-alpha-D-galactopyranoside