| CAS Number | 114748-67-3 |
| Catalog Number | AG000F5O(AGN-PC-0P6P1S) |
| Chemical Name | 7-Iodo-7-deaza-dideoxyguanosine |
| IUPAC Name | 2-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-4aH-pyrrolo[2,3-d]pyrimidin-4-one |
| InChI | InChI=1S/C11H13IN4O3/c12-6-3-16(7-2-1-5(4-17)19-7)9-8(6)10(18)15-11(13)14-9/h3,5,7-8,17H,1-2,4H2,(H2,13,15,18)/t5-,7+,8?/m0/s1 |
| InChI Key | BFKFTKBKOBGLLW-LSBSRIOGSA-N |
| MDL Number | MFCD28139111 |
| Molecular Formula | C11H13IN4O3 |
| Molecular Weight | 376.1504 |
| SMILES | IC1=CN(C2=C1C(=O)N=C(N)N2)[C@@H]3O[C@H](CO)CC3 |
| Synonyms | 114748-67-3,
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-3,7-dihydro-5-iodo-7-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-,
2-amino-7-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodo-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one,
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| Complexity | 516 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 376.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 376.154g/mol |
| Monoisotopic Mass | 376.003g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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Certificate of Analysis
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