xylitol
CNP0264488.1 · C5H12O5 · View on COCONUT ↗
Identifiers
| Name | xylitol |
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| IUPAC Name | (2~{R},4~{S})-pentane-1,2,3,4,5-pentol |
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| COCONUT ID | CNP0264488.1 |
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| CAS | 488-81-3, 87-99-0, 16277-71-7, 87849-01-2 |
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| InChIKey | HEBKCHPVOIAQTA-NGQZWQHPSA-N |
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| InChI | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5? |
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| SMILES | OC[C@@H](O)C(O)[C@@H](O)CO |
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Properties
| Molecular Formula | C5H12O5 |
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| Molecular Weight | 152.15 |
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| Exact Mass | 152.06847 |
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| Log P (ALogP) | -2.95 |
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| TPSA | 101.15 |
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| H-Bond Donors / Acceptors | 5 / 5 |
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| Rotatable Bonds | 4 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.30 |
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| NP-likeness | 1.32 |
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Classification
| NP Pathway | Carbohydrates |
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| NP Superclass | Saccharides |
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| NP Class | Monosaccharides |
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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.
