Account RIBI-529
- Catalog No. :
- ACVKUB289
- CAS No. :
- 216014-46-9
- Molecular Formula :
- C98H190N3O17P
- Molecular Weight :
- 1713.58
IUPAC Name:triethylamine (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-((R)-3-(tetradecanoyloxy)tetradecanamido)-6-(2-((R)-3-(tetradecanoyloxy)tetradecanamido)ethoxy)-4-(((R)-3-(tetradecanoyloxy)tetradecanoyl)oxy)tetrahydro-2H-pyran-3-yl phosphate
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Product Information
| Product Name | RIBI-529 |
|---|---|
| IUPAC Name | triethylamine (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-((R)-3-(tetradecanoyloxy)tetradecanamido)-6-(2-((R)-3-(tetradecanoyloxy)tetradecanamido)ethoxy)-4-(((R)-3-(tetradecanoyloxy)tetradecanoyl)oxy)tetrahydro-2H-pyran-3-yl phosphate |
| Molecular Formula | C98H190N3O17P |
| Molecular Weight | 1713.58 |
| SMILES | CCN(CC)CC.CCCCCCCCCCCCCC(O[C@H](CCCCCCCCCCC)CC(O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(O)(O)=O)CO)OCCNC(C[C@@H](CCCCCCCCCCC)OC(CCCCCCCCCCCCC)=O)=O)NC(C[C@@H](CCCCCCCCCCC)OC(CCCCCCCCCCCCC)=O)=O)=O)=O |
| InChI Key | QOFRNSMLZCPQKL-KTIIIUPTSA-N |
| Synonym | Tetradecanoic acid, (1R)-1-[2-[[2-[[2-deoxy-3-O-[(3R)-1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]-2-[[(3R)-1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]amino]-4-O-phosphono-β-D-glucopyranosyl]oxy]ethyl]amino]-2-oxoethyl]dodecyl ester, compd. with N,N-diethylethanamine (1:1);RIBI-529 |
| CAS No. | 216014-46-9 |
Synthetic Route by SureRoute
2. ACVKUB289 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
GSK1795091