| CAS Number | 369656-76-8 |
| Catalog Number | AG00C5IA(AGN-PC-0RD4NN) |
| Chemical Name | 2'-Deoxyuridine-13C,15N2 |
| IUPAC Name | 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidine-2,4-dione |
| InChI | InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6-,8-/m1/s1/i9+1,10+1,11+1 |
| InChI Key | MXHRCPNRJAMMIM-BRNXEOTRSA-N |
| MDL Number | MFCD01317534 |
| Molecular Formula | C9H12N2O5 |
| Molecular Weight | 231.1815 |
| SMILES | O=[13C]1[15NH]C(=O)C=C[15N]1[C@@]1([H])C[C@H](O)[C@@H](CO)O1 |
| Synonyms | 2'-Deoxyuridine-13C,15N2,
369656-76-8,
2'-Desoxyuridine-13C,15N2,
Deoxyribose Uracil-13C,15N2,
CTK8F4244,
DTXSID60747500,
AKOS030242018,
NSC 23615-13C,15N2,
1-(2-Deoxy-|A-D-erythro-pentofuranosyl)uracil-13C,15N2,
2 inverted exclamation mark -Deoxy-uridine-2-13C-1,3-15N2,
1-(2-Deoxy-beta-D-threo-pentofuranosyl)(2-~13~C,~15~N_2_)pyrimidine-2,4(1H,3H)-dione,
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| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 3 |
| Molecular Weight | 231.183g/mol |
| Monoisotopic Mass | 231.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
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Certificate of Analysis
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