Account 6-((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)-6-oxohex-4-enoic acid
- Catalog No. :
- ACOTOA477
- CAS No. :
- 138149-18-5
- Molecular Formula :
- C27H42N7O19P3S
- Molecular Weight :
- 893.65
IUPAC Name:6-((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)-6-oxohex-4-enoic acid
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Product Information
| Product Name | 6-((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)-6-oxohex-4-enoic acid |
|---|---|
| IUPAC Name | 6-((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)-6-oxohex-4-enoic acid |
| Molecular Formula | C27H42N7O19P3S |
| Molecular Weight | 893.65 |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CCCC(=O)O |
| InChI Key | ZFXICKRXPZTFPB-BIEWRJSYSA-N |
| Synonym | 5-Carboxy-2-pentenoyl-CoA;S-(6-hydrogen-2-hexenedioate)-CoA |
| CAS No. | 138149-18-5 |
Synthetic Route by SureRoute
2. ACOTOA477 Molecular Building Block Synthetic Route
Dodec-2-trans-enoyl-CoA
trans-2-Octenoyl-CoA
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) (E)-dec-2-enethioate