Account lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(butyrylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate
- Catalog No. :
- ACUNGJ663
- CAS No. :
- 102282-28-0
- Molecular Formula :
- C25H39Li3N7O17P3S
- Molecular Weight :
- 855.43
IUPAC Name:lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(butyrylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl 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-(butyrylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate |
|---|---|
| IUPAC Name | lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(butyrylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate |
| Molecular Formula | C25H39Li3N7O17P3S |
| Molecular Weight | 855.43 |
| SMILES | CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)([O-])[O-].[Li+].[Li+].[Li+] |
| InChI Key | SSSSPMGDEUHRDN-WSRMJXCZSA-K |
| Synonym | N-BUTYRYL COENZYME A LITHIUM SALT;BUTYRYL COENZYME A;BUTYRYL COENZYME A DILITHIUM SALT;C4:0;butyryl coenzyme a lithium salt hydrate;Butyryl coenzyme A lithium salt;Butyryl-Coenzym A Dilithiumsalz;coenzyme A n-butyryl derivative (C4:0), lithium salt |
| CAS No. | 102282-28-0 |
Synthetic Route by SureRoute
2. ACUNGJ663 Molecular Building Block Synthetic Route
Butanoyl CoenzyMe A
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) 3-methylbutanethioate
DL-3- hydroxybutyryl coenzyme A lithium salt