Account S-(2-(3-(4-((((((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) (E)-but-2-enethioate, lithium salt
- Catalog No. :
- ACPNUR092
- CAS No. :
- 102680-35-3
- Molecular Formula :
- C25H36Li4N7O17P3S
- Molecular Weight :
- 859.35
IUPAC Name:S-(2-(3-(4-((((((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) (E)-but-2-enethioate, lithium salt
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Product Information
| Product Name | S-(2-(3-(4-((((((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) (E)-but-2-enethioate, lithium salt |
|---|---|
| IUPAC Name | S-(2-(3-(4-((((((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) (E)-but-2-enethioate, lithium salt |
| Molecular Formula | C25H36Li4N7O17P3S |
| Molecular Weight | 859.35 |
| SMILES | C/C=C/C(SCCNC(CCNC(C(O)C(C)(C)COP([O-])(OP([O-])(OCC1OC(N2C=NC3=C(N)N=CN=C23)C(O)C1OP([O-])([O-])=O)=O)=O)=O)=O)=O.[Li+].[Li+].[Li+].[Li+] |
| InChI Key | RRZJOXPRURHLJG-ZIDOSWBXSA-J |
| Synonym | [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-but-2-enoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid;Crotonoyl-CoA;coenzyme A crotonyl derivative (C4:1), lithium salt;2-Butenoyl CoA lithium salt;Crotonoyl Co A lithium salt;CROTONOYL COENZYME A TRILITHIUM SALT;CROTONOYL COENZYME A LITHIUM;2-butenoyl coenzyme a lithium salt |
| CAS No. | 102680-35-3 |
Synthetic Route by SureRoute
2. ACPNUR092 Molecular Building Block Synthetic Route
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) but-2-enethioate
S-(2-(3-(4-((((((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-methylbut-2-enethioate, lithium salt
Acryloyl-CoA