Account HMG-CoA
- Catalog No. :
- ACVPQC049
- CAS No. :
- 1553-55-5
- Molecular Formula :
- C27H44N7O20P3S
- Molecular Weight :
- 911.67
IUPAC Name:5-((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)-3-hydroxy-3-methyl-5-oxopentanoic acid
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Product Information
| Product Name | HMG-CoA |
|---|---|
| IUPAC Name | 5-((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)-3-hydroxy-3-methyl-5-oxopentanoic acid |
| Molecular Formula | C27H44N7O20P3S |
| Molecular Weight | 911.67 |
| SMILES | CC(O)(CC(=O)O)CC(=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 |
| InChI Key | CABVTRNMFUVUDM-SJBCKIPMSA-N |
| Synonym | 3-Hydroxy-3-methylglutaryl-CoA;5-[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]-3-hydroxy-3-methyl-5-oxo-pentanoic acid;3-hydroxy-3-methylglutaryl-coenzyme A;S-(hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A;Coenzyme A, S-(hydrogen 3-hydroxy-3-methylpentanedioate);Ketorolac Impurity 57 |
| CAS No. | 1553-55-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACVPQC049 Molecular Building Block Synthetic Route
(3S)-5-((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)-3-hydroxy-3-methyl-5-oxopentanoic acid
Coenzyme A, S-(hydrogen 3-hydroxy-3-methyl pentanedioate), diSodium salt
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)-4-hydroxy-6-oxohexanoic acid