Account 5'-Thymidylic acid, 3'-[5-[diethyl[2-(triethylammonio)ethyl]ammonio]pentanoate], bis(inner salt)
- Catalog No. :
- ACRQAY946
- CAS No. :
- 101011-00-1
- Molecular Formula :
- C27H49N4O9P
- Molecular Weight :
- 604.68
IUPAC Name:((2R,3S,5R)-3-((5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoyl)oxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl phosphate
![5'-Thymidylic acid, 3'-[5-[diethyl[2-(triethylammonio)ethyl]ammonio]pentanoate], bis(inner salt) structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 5'-Thymidylic acid, 3'-[5-[diethyl[2-(triethylammonio)ethyl]ammonio]pentanoate], bis(inner salt) |
|---|---|
| IUPAC Name | ((2R,3S,5R)-3-((5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoyl)oxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl phosphate |
| Molecular Formula | C27H49N4O9P |
| Molecular Weight | 604.68 |
| SMILES | O=P([O-])([O-])OC[C@H]1O[C@@H](N(C(N2)=O)C=C(C)C2=O)C[C@@H]1OC(CCCC[N+](CC)(CC)CC[N+](CC)(CC)CC)=O |
| InChI Key | JJEDGFIYWWCVMY-RBZQAINGSA-N |
| Synonym | 5'-Thymidylic acid, 3'-[5-[diethyl[2-(triethylammonio)ethyl]ammonio]pentanoate], bis(inner salt) (9CI) |
| CAS No. | 101011-00-1 |
Synthetic Route by SureRoute
2. ACRQAY946 Molecular Building Block Synthetic Route
(2R,3S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-((phosphonooxy)methyl)tetrahydrofuran-3-yl acetate
(2R,3S,5R)-2-(((Hydroxy((hydroxy(phosphonooxy)phosphoryl)oxy)phosphoryl)oxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl acetate
Sodium ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl phosphate