Account Sodium (2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl sulfate
- Catalog No. :
- ACSBNQ892
- CAS No. :
- 146697-03-2
- Molecular Formula :
- C20H34NNaO18S
- Molecular Weight :
- 631.54
IUPAC Name:sodium (2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl sulfate
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Product Information
| Product Name | Sodium (2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl sulfate |
|---|---|
| IUPAC Name | sodium (2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl sulfate |
| MDL No. | MFCD00679127 |
| Molecular Formula | C20H34NNaO18S |
| Molecular Weight | 631.54 |
| SMILES | O=S(O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](NC(C)=O)[C@H]2O[C@H]3[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O3)O[C@H](CO)[C@@H]1O)([O-])=O.[Na+] |
| InChI Key | QQNNDBNDALKSBB-LOBKVNCFSA-M |
| Synonym | Sulfo-Lewis-X trisaccharide sodium salt, Lex-sulfate sodium salt, SO₃(O→3)-β-Gal-(1→4)(α-Fuc-[1→3])-GlcNAc |
| CAS No. | 146697-03-2 |
Synthetic Route by SureRoute
2. ACSBNQ892 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl hydrogen sulfate
(2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6R)-5-Acetamido-2-(hydroxymethyl)-6-methoxy-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl hydrogen sulfate
(2R,3R,4R,5R,6S)-6-(((2R,3S,4R,5R,6R)-5-Acetamido-2-(hydroxymethyl)-6-methoxy-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl hydrogen sulfate