Account 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) hexadec-15-ynethioate
- Catalog No. :
- ACWCBA672
- CAS No. :
- 1941173-52-9
- Molecular Formula :
- C37H62N7O17P3S
- Molecular Weight :
- 1001.92
IUPAC Name: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) hexadec-15-ynethioate
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Product Information
| Product Name | 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) hexadec-15-ynethioate |
|---|---|
| IUPAC Name | 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) hexadec-15-ynethioate |
| Molecular Formula | C37H62N7O17P3S |
| Molecular Weight | 1001.92 |
| SMILES | O[C@H]1[C@@H](O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CCCCCCCCCCCCCC#C)=O)=O)=O)(O)=O)(O)=O)N2C3=NC=NC(N)=C3N=C2 |
| InChI Key | GZHUDOCZNCSRDF-BBECNAHFSA-N |
| Synonym | Coenzyme A, S-15-hexadecanoate |
| CAS No. | 1941173-52-9 |
Synthetic Route by SureRoute
2. ACWCBA672 Molecular Building Block Synthetic Route
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
Palmitoylcoenzymeapotassiumsalt