18997-88-1
CNP0261575.4 · C8H16O6 · View on COCONUT ↗
Identifiers
| Name | 18997-88-1 |
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| IUPAC Name | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
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| COCONUT ID | CNP0261575.4 |
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| InChIKey | WYUFTYLVLQZQNH-DWOUCZDBSA-N |
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| InChI | InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8-/m1/s1 |
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| SMILES | CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
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Properties
| Molecular Formula | C8H16O6 |
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| Molecular Weight | 208.21 |
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| Exact Mass | 208.09469 |
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| Log P (ALogP) | -2.18 |
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| TPSA | 99.38 |
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| H-Bond Donors / Acceptors | 4 / 6 |
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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 | 0.42 |
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| NP-likeness | 2.35 |
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Classification
| NP Pathway | |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Organic oxygen compounds |
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| Chemical Class | Organooxygen compounds |
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| Chemical Subclass | Carbohydrates and carbohydrate conjugates |
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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.
