| CAS Number | 103226-10-4 |
| Catalog Number | AG008UK4(AGN-PC-0OS8U0) |
| Chemical Name | Disodium ((2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl phosphate |
| IUPAC Name | disodium;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate |
| InChI | InChI=1S/C9H12FN2O8P.2Na/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18;;/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1 |
| InChI Key | XLDWFMGNEABNKL-OJSHLMAWSA-L |
| MDL Number | MFCD16714828 |
| Molecular Formula | C9H10FN2Na2O8P |
| Molecular Weight | 370.1360 |
| SMILES | O=P([O-])(OC[C@@H]1[C@H](C[C@H](N2C(NC(C(F)=C2)=O)=O)O1)O)[O-].[Na+].[Na+] |
| Synonyms | 103226-10-4,
Sodium ((2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl phosphate,
5-Fluoro-2'-deoxyuridine 5'-monophosphate sodium salt,
CHEMBL1823492,
MFCD22374067,
RT-020824,
J-700092,
5-Fluoro-2'-deoxyuridine-5'-monophosphate sodium salt,
5-Fluoro-2'-deoxyuridine 5'-monophosphate, disodium salt,
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| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.137g/mol |
| Monoisotopic Mass | 369.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 151A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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