Account Lacto-N-neodifucohexaose II
- Catalog No. :
- ACFEBO367
- CAS No. :
- 2583908-45-4
- Molecular Formula :
- C44H76N4O29
- Molecular Weight :
- 1125.09
IUPAC Name:N-((2S,3R,4R,5S,6R)-2-(((2S,3R,4S,5S,6R)-2-(((2R,3R,4R,5R,6R)-6-((6-azidohexyl)oxy)-5-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)oxy)-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)acetamide
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Product Information
| Product Name | Lacto-N-neodifucohexaose II |
|---|---|
| IUPAC Name | N-((2S,3R,4R,5S,6R)-2-(((2S,3R,4S,5S,6R)-2-(((2R,3R,4R,5R,6R)-6-((6-azidohexyl)oxy)-5-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)oxy)-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)acetamide |
| Molecular Formula | C44H76N4O29 |
| Molecular Weight | 1125.09 |
| SMILES | CC(N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](CO)O[C@@H](OCCCCCCN=[N+]=[N-])[C@H](O)[C@H]3O[C@H]4[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O4)O[C@H](CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O5)[C@@H]1O[C@H]6[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O6)=O |
| InChI Key | MSXUAQHDROULSV-SWSRNACHSA-N |
| CAS No. | 2583908-45-4 |
Synthetic Route by SureRoute
2. ACFEBO367 Molecular Building Block Synthetic Route
N-((2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-methoxy-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-(((2S,3S,4R,5S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)acetamide
N-((2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methoxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)acetamide
N-((2R,3R,4R,5S,6R)-2-(((2R,3R,4S,5S,6S)-4-(((2S,3R,4R,5S,6R)-3-acetamido-4-(((2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)-5-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-6-(((2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-5-(((2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide