| CAS Number | 25953-14-4 |
| Catalog Number | AG002R6P(AGN-PC-0O8CVE) |
| Chemical Name | 5’-Deoxy-5’-iodothymidine |
| IUPAC Name | 1-[(2R,4S,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione |
| InChI | InChI=1S/C10H13IN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1 |
| InChI Key | LEQXAJKTJWCXEC-XLPZGREQSA-N |
| MDL Number | MFCD04973690 |
| Molecular Formula | C10H13IN2O4 |
| Molecular Weight | 352.1257 |
| SMILES | Cc1cn([C@H]2C[C@H](O)[C@@H](CI)O2)c(=O)[nH]c1=O |
| Synonyms | 5'-iodo-5'-deoxythymidine,
25953-14-4,
5'-deoxy-5'-iodothymidine,
SCHEMBL538834,
CHEMBL507126,
Thymidine,5'-deoxy-5'-iodo-,
CTK4F6821,
LEQXAJKTJWCXEC-XLPZGREQSA-N,
ZINC1578327,
1-((2R,4S,5S)-4-hydroxy-5-(iodomethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione,
NSC338954,
CID10043561,
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| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.128g/mol |
| Monoisotopic Mass | 351.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number