Account Lithium 3-((2-(3-((R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-((hydroxyoxidophosphoryl)oxy)tetrahydrofuran-2-yl)methoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl)thio)-2-methyl-3-oxopropanoate hydrate
- Catalog No. :
- ACULYD576
- CAS No. :
- 104809-02-1
- Molecular Formula :
- C25H37Li5N7O20P3S
- Molecular Weight :
- 915.29
IUPAC Name:lithium 3-((2-(3-((R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl)methoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl)thio)-2-methyl-3-oxopropanoate hydrate
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Product Information
| Product Name | Lithium 3-((2-(3-((R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-((hydroxyoxidophosphoryl)oxy)tetrahydrofuran-2-yl)methoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl)thio)-2-methyl-3-oxopropanoate hydrate |
|---|---|
| IUPAC Name | lithium 3-((2-(3-((R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl)methoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl)thio)-2-methyl-3-oxopropanoate hydrate |
| Molecular Formula | C25H37Li5N7O20P3S |
| Molecular Weight | 915.29 |
| SMILES | O=C([O-])C(C)C(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.[H]O[H].[Li+].[Li+].[Li+].[Li+].[Li+] |
| InChI Key | MQTJDWDCZFIWMH-ZDILGTDZSA-I |
| Synonym | METHYLMALONYL COENZYME A LITHIUM;METHYLMALONYL COENZYME A TETRALITHIUM &;methylmalonyl coenzyme a tetralithium salt hydrate;α-methylmalonyl coenzyme a tetralithium salt;3-[2-[3-[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]aminopropanoylamino]ethylsulfanyl]-2-methyl-3-oxo-propanoic acid;Methylmalonyl-CoA;coenzyme A methylmalonyl derivative, tetralithium hydrate;coenzyme A methylmalonyl derivative, lithium salt |
| CAS No. | 104809-02-1 |
Synthetic Route by SureRoute
2. ACULYD576 Molecular Building Block Synthetic Route
3-((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)thio)-2-methyl-3-oxopropanoic acid
2-(((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)thio)carbonyl)butanoic acid
Coenzyme A, S-(hydrogen propanedioate), xlithium salt