Account {[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- Catalog No. :
- ACPSMC000
- CAS No. :
- 900498-43-3
- Molecular Formula :
- C21H36N7O16P3S
- Molecular Weight :
- 767.54
IUPAC Name:-
![{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | {[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid |
|---|---|
| Molecular Formula | C21H36N7O16P3S |
| Molecular Weight | 767.54 |
| SMILES | O[C@H]1[C@@H](O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(OCC(C)(C)C(O)C(NCCC(NCCS)=O)=O)(O)=O)(O)=O)N2C3=NC=NC(N)=C3N=C2 |
| InChI Key | RGJOEKWQDUBAIZ-DRCCLKDXSA-N |
| Synonym | Pantetheine, 4-ester with 5'-pyrophosphate of adenosine 3'-phosphate (5CI);Pantetheine, 4-ester with 5′-pyrophosphate of adenosine 3′-phosphate |
| CAS No. | 900498-43-3 |
Synthetic Route by SureRoute
2. ACPSMC000 Molecular Building Block Synthetic Route
Coenzyme A trilithium salt
(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-3-((2-((2-sulfanylethyl)carbamoyl)ethyl)carbamoyl)propoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)oxolan-3-yl)oxy)phosphonic acid
COenzyme A sodium salt