| CAS Number | 3616-24-8 |
| Catalog Number | AG019FW9(AGN-PC-0RBON5) |
| Chemical Name | (2R,3S,5R)-5-(2-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol |
| IUPAC Name | (2R,3S,5R)-5-(2-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| InChI | InChI=1S/C10H13N5O3/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2,(H2,11,12,14)/t6-,7+,8+/m0/s1 |
| InChI Key | KGCFUCMAUQBXMT-XLPZGREQSA-N |
| MDL Number | MFCD01630951 |
| Molecular Formula | C10H13N5O3 |
| Molecular Weight | 251.2419 |
| SMILES | O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=CN=C(N)N=C23)C1 |
| Synonyms | 3616-24-8,
(2R,3S,5R)-5-(2-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol,
2-AMINO-9-(beta-D-2-DEOXYRIBOFURANOSYL)PURINE,
2-Amino-9-(2'-deoxy-b-D-ribofuranosyl)purine,
SCHEMBL9151040,
CTK8F4092,
ZINC1621617,
2-Amino-6-deamino-2'-deoxyadenosine,
2-Amino-9-(beta-D-2'-deoxyribfuranosyl)purine,
NSC96006,
CID10879554,
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| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.246g/mol |
| Monoisotopic Mass | 251.102g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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