Thymidine 3',N-dimethylphosphoramidate
1-[2-(dimethylamino)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyrimidine-2,4-dione
Also Known As: Thymidine 3',N-dimethylphosphoramidate|Thymidine,5'-(dimethylphosphoramidate)|Thymidine, cyclic 3',5'-(dimethylphosphoramidate)|1-[2-(dimethylamino)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyrimidine-2,4-dione|1-[2-(Dimethylamino)-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C12H18N3O6P |
|---|---|
| Molecular Weight | 331.09332 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.09332 |
| Monoisotopic Mass | 331.09332 |
| Heavy Atoms | 22 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 40652-76-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=O)(O3)N(C)C |
| InChIKey | AFLIHLMNWDEWKU-UHFFFAOYSA-N |
Product Overview
Thymidine 3',N-dimethylphosphoramidate (CAS 40652-76-4), with molecular formula C12H18N3O6P and molecular weight 331.09332 g/mol. IUPAC: 1-[2-(dimethylamino)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyrimidine-2,4-dione.