Account Defoslimod
- Catalog No. :
- ACEAAF033
- CAS No. :
- 171092-39-0
- Molecular Formula :
- C53H102N2O20P2
- Molecular Weight :
- 1149.34
IUPAC Name:(R)-1-(((2R,3R,4R,5S,6R)-2-(((2R,3S,4R,5R,6R)-3,4-dihydroxy-5-((R)-3-hydroxytetradecanamido)-6-((phosphonooxy)methyl)tetrahydro-2H-pyran-2-yl)methoxy)-4-hydroxy-6-(hydroxymethyl)-5-(phosphonooxy)tetrahydro-2H-pyran-3-yl)amino)-1-oxotetradecan-3-yl dodecanoate
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Product Information
| Product Name | Defoslimod |
|---|---|
| IUPAC Name | (R)-1-(((2R,3R,4R,5S,6R)-2-(((2R,3S,4R,5R,6R)-3,4-dihydroxy-5-((R)-3-hydroxytetradecanamido)-6-((phosphonooxy)methyl)tetrahydro-2H-pyran-2-yl)methoxy)-4-hydroxy-6-(hydroxymethyl)-5-(phosphonooxy)tetrahydro-2H-pyran-3-yl)amino)-1-oxotetradecan-3-yl dodecanoate |
| Molecular Formula | C53H102N2O20P2 |
| Molecular Weight | 1149.34 |
| SMILES | CCCCCCCCCCCC(O[C@H](CCCCCCCCCCC)CC(N[C@H]1[C@H](OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](NC(C[C@H](O)CCCCCCCCCCC)=O)[C@H](COP(O)(O)=O)O2)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]1O)=O)=O |
| InChI Key | UUVVKHSZRKZOGM-CUECXTGJSA-N |
| Synonym | OM 174 | OM-174 |
| CAS No. | 171092-39-0 |
| PubChem CID | 656812 |
Synthetic Route by SureRoute
2. ACEAAF033 Molecular Building Block Synthetic Route
Ammonium (2R,3S,4R,5R,6R)-6-(((2R,3S,4R,5R,6S)-3,6-dihydroxy-5-((R)-3-hydroxytetradecanamido)-4-(((R)-3-hydroxytetradecanoyl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-2-(hydroxymethyl)-5-((R)-3-(tetradecanoyloxy)tetradecanamido)-4-(((R)-3-(tetradecanoyloxy)tetradecanoyl)oxy)tetrahydro-2H-pyran-3-yl hydrogen phosphate
(R)-(2R,3R,4R,5S,6R)-2-(((2R,3S,4R,5R,6S)-3,6-Dihydroxy-5-((R)-3-hydroxytetradecanamido)-4-(((R)-3-hydroxytetradecanoyl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-6-(hydroxymethyl)-3-((R)-3-hydroxytetradecanamido)-5-(phosphonooxy)tetrahydro-2H-pyran-4-yl 3-hydroxytetradecanoate
RIBI-529