| CAS Number | 14504-60-0 |
| Catalog Number | AG001KIC(AGN-PC-0O308G) |
| Chemical Name | 5'-O-methylthymidine |
| IUPAC Name | 1-[(2R,4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione |
| InChI | InChI=1S/C11H16N2O5/c1-6-4-13(11(16)12-10(6)15)9-3-7(14)8(18-9)5-17-2/h4,7-9,14H,3,5H2,1-2H3,(H,12,15,16)/t7-,8+,9+/m0/s1 |
| InChI Key | KTCKNHCDUKONFQ-DJLDLDEBSA-N |
| MDL Number | MFCD04973696 |
| Molecular Formula | C11H16N2O5 |
| Molecular Weight | 256.2551 |
| SMILES | COC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C)C(=O)NC2=O |
| Synonyms | 5'-o-methylthymidine,
14504-60-0,
SCHEMBL135209,
CTK0H1912,
DTXSID20560858,
ZINC6667024,
1-((2R,4S,5R)-4-hydroxy-5-(methoxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione,
5'-Methylthymidine,
5/'-o-Methylthymidine,
Thymidine, 5'-O-methyl-,
THYMIDINE,[METHYL-3H],
52497-68-4,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.258g/mol |
| Monoisotopic Mass | 256.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
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Certificate of Analysis
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