| CAS Number | 80681-25-0 |
| Catalog Number | AG00G4DH(AGN-PC-0OIF1E) |
| Chemical Name | N2-Isobutyryl-2'-fluoro-2'-deoxyguanosine |
| IUPAC Name | N-[9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide |
| InChI | InChI=1S/C14H18FN5O5/c1-5(2)11(23)18-14-17-10-8(12(24)19-14)16-4-20(10)13-7(15)9(22)6(3-21)25-13/h4-7,9,13,21-22H,3H2,1-2H3,(H2,17,18,19,23,24)/t6-,7-,9-,13-/m1/s1 |
| InChI Key | SLHADUUWJSVYGQ-HTFXMJNNSA-N |
| MDL Number | MFCD15145246 |
| Molecular Formula | C14H18FN5O5 |
| Molecular Weight | 355.3216 |
| SMILES | OC[C@@H]1[C@H]([C@@H](F)[C@H](N2C=NC3=C2N=C(NC(C(C)C)=O)NC3=O)O1)O |
| Synonyms | 80681-25-0,
N2-ISOBUTYRYL-2'-FLUORO-2'-DEOXYGUANOSINE,
N-(9-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide,
HG1076,
MFCD15145246,
ZINC34770375,
AKOS027336565,
AS-49378,
2'-Fluoro-N2-isobutyryl-2'-deoxyguanosine,
X-2960,
J-700195,
Guanosine, 2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-,
Guanosine,2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-,
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| Complexity | 588 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.326g/mol |
| Monoisotopic Mass | 355.129g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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