Account Lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-(palmitoylthio)ethyl)amino)propyl)amino)butoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogen phosphate
- Catalog No. :
- ACLGQY801
- CAS No. :
- 188174-64-3
- Molecular Formula :
- C37H65LiN7O17P3S
- Molecular Weight :
- 1011.89
IUPAC Name:lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-(palmitoylthio)ethyl)amino)propyl)amino)butoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogen phosphate
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Product Information
| Product Name | Lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-(palmitoylthio)ethyl)amino)propyl)amino)butoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogen phosphate |
|---|---|
| IUPAC Name | lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-(palmitoylthio)ethyl)amino)propyl)amino)butoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogen phosphate |
| MDL No. | MFCD01863103 |
| Molecular Formula | C37H65LiN7O17P3S |
| Molecular Weight | 1011.89 |
| SMILES | O=P(O[C@@H]1[C@@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CCCCCCCCCCCCCCC)=O)=O)=O)(O)=O)(O)=O)O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@@H]1O)([O-])O.[Li+] |
| InChI Key | BSAYABVAJQBKKB-NNGKVBCISA-M |
| Synonym | Palmitoyl coenzyme A lithium salt is also known as n-Hexadecanoyl Coenzyme A. |
| CAS No. | 188174-64-3 |
| PubChem CID | 71308765 |
Synthetic Route by SureRoute
2. ACLGQY801 Molecular Building Block Synthetic Route
Myristoyl coenzyme A
Coenzyme A, S-dodecanoate, ammonium salt (1:3)
S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) tetradecanethioate xlithium salt