149153-08-2
CNP0367758.2 · C6H8O6 · View on COCONUT ↗
Identifiers
| Name | 149153-08-2 |
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| IUPAC Name | (2~{R})-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2~{H}-furan-5-one |
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| COCONUT ID | CNP0367758.2 |
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| InChIKey | CIWBSHSKHKDKBQ-DOAHDZERSA-N |
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| InChI | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m1/s1 |
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| SMILES | O=C1O[C@H](C(O)CO)C(O)=C1O |
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Properties
| Molecular Formula | C6H8O6 |
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| Molecular Weight | 176.12 |
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| Exact Mass | 176.03209 |
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| Log P (ALogP) | -1.41 |
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| TPSA | 107.22 |
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| H-Bond Donors / Acceptors | 4 / 6 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.39 |
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| NP-likeness | 2.26 |
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Classification
| NP Pathway | Polyketides |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Dihydrofurans |
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| Chemical Subclass | Furanones |
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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.
