NSC 529863
CNP0356997.1 · C11H15N5O5 · View on COCONUT ↗
Identifiers
| Name | NSC 529863 |
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| IUPAC Name | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-[6-[hydroxy(methyl)amino]purin-9-yl]tetrahydrofuran-3,4-diol |
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| COCONUT ID | CNP0356997.1 |
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| InChIKey | FSJKXZCUNZIYPF-IOSLPCCCSA-N |
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| InChI | InChI=1S/C11H15N5O5/c1-15(20)9-6-10(13-3-12-9)16(4-14-6)11-8(19)7(18)5(2-17)21-11/h3-5,7-8,11,17-20H,2H2,1H3/t5-,7-,8-,11-/m1/s1 |
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| SMILES | CN(O)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
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Properties
| Molecular Formula | C11H15N5O5 |
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| Molecular Weight | 297.27 |
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| Exact Mass | 297.10732 |
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| Log P (ALogP) | -1.74 |
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| TPSA | 136.99 |
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| H-Bond Donors / Acceptors | 4 / 10 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.49 |
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| NP-likeness | 0.90 |
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Classification
| NP Pathway | Carbohydrates |
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| NP Superclass | Nucleosides |
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| NP Class | Purine nucleos(t)ides |
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| Chemical Superclass | Nucleosides, nucleotides, and analogues |
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| Chemical Class | Purine nucleosides |
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| Chemical Subclass | Purine nucleosides |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
