Account Lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(hexanoylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate
- Catalog No. :
- ACTZUQ681
- CAS No. :
- 103476-19-3
- Molecular Formula :
- C27H43Li3N7O17P3S
- Molecular Weight :
- 883.48
IUPAC Name:lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(hexanoylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate
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Product Information
| Product Name | Lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(hexanoylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate |
|---|---|
| IUPAC Name | lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(hexanoylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate |
| Molecular Formula | C27H43Li3N7O17P3S |
| Molecular Weight | 883.48 |
| SMILES | CCCCCC(SCCNC(CCNC([C@H](O)C(C)(C)COP([O-])(OP([O-])(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1OP(O)([O-])=O)=O)=O)=O)=O)=O.[Li+].[Li+].[Li+] |
| InChI Key | FBCJBRMDAWFEFV-GUOUMXCNSA-K |
| Synonym | HEXANOYL COENZYME A TRILITHIUM SALT;N-hexanoyl coenzyme A (C6:0) lithium;Hexanoyl coenzyme A lithium salt;coenzyme A n-hexanoyl derivative (C6:0), lithium salt;Hexanoyl coenzyme A hydrate trilithium salt;Hexanoyl coenzyme A trilithium salt hydrate;Hexanoyl coenzyme A (trilithium) |
| CAS No. | 103476-19-3 |
Synthetic Route by SureRoute
2. ACTZUQ681 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