| CAS Number | 908130-61-0 |
| Catalog Number | AG003A53(AGN-PC-0WAC8B) |
| Chemical Name | 7-(2-Deoxy-β-L-erythro-pentofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| IUPAC Name | (2S,3R,5S)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol |
| InChI | InChI=1S/C11H13IN4O3/c12-5-2-16(8-1-6(18)7(3-17)19-8)11-9(5)10(13)14-4-15-11/h2,4,6-8,17-18H,1,3H2,(H2,13,14,15)/t6-,7+,8+/m1/s1 |
| InChI Key | LIIIRHQRQZIIRT-CSMHCCOUSA-N |
| MDL Number | MFCD13195442 |
| Molecular Formula | C11H13IN4O3 |
| Molecular Weight | 376.1504 |
| SMILES | O[C@H]1[C@H](CO)O[C@H](N2C=C(I)C3=C(N)N=CN=C32)C1 |
| Synonyms | 908130-61-0,
(2S,3R,5S)-5-(4-Amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol,
7-Deaza-2'-deoxy-7-iodoadenosine,
7-(2-Deoxy-beta-L-erythro-pentofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine,
7-Deaza-2?-deoxy-7-iodoadenosine,
ZINC33805002,
AKOS024464514,
AK163024,
AX8256630,
7-Deaza-2-deoxy-7-iodoadenosine,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 376.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 376.154g/mol |
| Monoisotopic Mass | 376.003g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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