(2R,3S,4R,5R)-2-(6-Aminopurin-9-Yl)-5-(Hydroxymethyl)Oxolane-3,4-Diol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL2051971 | |
| PubChem: | 12358320 | |
| IUPAC: | (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | |
| Standard InChI: | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7+,10-/m1/s1 | |
| Standard InChI Key: | OIRDTQYFTABQOQ-XJCFNFQFSA-N | |
| SMILES: | OC[C@H]1O[C@H]([C@H]([C@H]1O)O)n1cnc2c1ncnc2N | |
Molecular propeties
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| AlogP: | -1.98 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 267.1 | |
| Topological polar surface area: | 140 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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