Account (2R,4S,5R,6R)-4-hydroxy-5-(2-hydroxyacetamido)-2-(((2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-2-yl)methoxy)-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACOBIX154
- CAS No. :
- 1072896-38-8
- Molecular Formula :
- C24H35NO16
- Molecular Weight :
- 593.53
IUPAC Name:(2R,4S,5R,6R)-4-hydroxy-5-(2-hydroxyacetamido)-2-(((2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-2-yl)methoxy)-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2R,4S,5R,6R)-4-hydroxy-5-(2-hydroxyacetamido)-2-(((2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-2-yl)methoxy)-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2R,4S,5R,6R)-4-hydroxy-5-(2-hydroxyacetamido)-2-(((2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-2-yl)methoxy)-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C24H35NO16 |
| Molecular Weight | 593.53 |
| SMILES | COC1=CC=C(O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)C=C1 |
| InChI Key | QDQXPAOHAVZJRT-OUIOXYPCSA-N |
| Synonym | 4-Methoxyphenyl 6- | O | -[ | N | -(Hydroxyacetyl)-α-neuraminosyl]-β- | D | -galactopyranoside | 4-Methoxyphenyl | O | -(5-Hydoxyacetamido-3,5-dideoxy- | D | - | glycero | -α- | D | - | galacto | -2-nonulopyranosonic Acid)-(2-6)-β- | D | -galactopyranoside | Neu5Gcα(2-6)Gal-β-MP |
| CAS No. | 1072896-38-8 |
| PubChem CID | 101136804 |
Synthetic Route by SureRoute
2. ACOBIX154 Molecular Building Block Synthetic Route
Neu5Acα(2-3)Galβ MP glycoside
(2S,4S,5R,6R)-5-acetamido-2-(((2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydro-2H-pyran-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
(2R,4S,5R,6R)-5-acetamido-2-(((2R,3R,4R,5R,6S)-5-acetamido-3-hydroxy-6-(4-nitrophenoxy)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid