| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-08-01 08:05:20 UTC |
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| Update Date | 2016-08-01 19:18:55 UTC |
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| Lmdb | LMDB00924 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | Xylitol (5TMS) |
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| Description | 2,2,10,10-tetramethyl-5,6,7-tris[(trimethylsilyl)oxy]-3,9-dioxa-2,10-disilaundecane belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. 2,2,10,10-tetramethyl-5,6,7-tris[(trimethylsilyl)oxy]-3,9-dioxa-2,10-disilaundecane is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C20H52O5Si5 |
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| Average Molecular Weight | 513.056 |
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| Monoisotopic Molecular Weight | 512.266107449 |
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| IUPAC Name | 2,2,10,10-tetramethyl-5,6,7-tris[(trimethylsilyl)oxy]-3,9-dioxa-2,10-disilaundecane |
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| Traditional Name | 2,2,10,10-tetramethyl-5,6,7-tris[(trimethylsilyl)oxy]-3,9-dioxa-2,10-disilaundecane |
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| CAS Registry Number | Not Available |
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| SMILES | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C |
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| InChI Identifier | InChI=1S/C20H52O5Si5/c1-26(2,3)21-16-18(23-28(7,8)9)20(25-30(13,14)15)19(24-29(10,11)12)17-22-27(4,5)6/h18-20H,16-17H2,1-15H3 |
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| InChI Key | SUZLPERYXSOGNY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Monosaccharides |
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| Alternative Parents | |
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| Substituents | - Monosaccharide
- Trialkylheterosilane
- Silyl ether
- Organoheterosilane
- Organic metalloid salt
- Hydrocarbon derivative
- Organic salt
- Organosilicon compound
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Detected but not Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0000390000-c42040c8be4bb7db5c0d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-1009000000-8cc82b10c4c8c1217926 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0159-5559000000-87fdf59d855d2647ce69 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0c00-3016980000-e1cf7ff22ae171c9b467 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-6098600000-ca3ec9df0841923cbfb6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00dr-9177100000-0ec21fb2f6ab5b90e883 | Spectrum |
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