| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-08-09 17:40:13 UTC |
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| Update Date | 2016-08-09 21:34:00 UTC |
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| Lmdb | LMDB01090 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | D-Gluco-hexodialdose |
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| Description | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedial belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedial 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 | C6H10O6 |
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| Average Molecular Weight | 178.14 |
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| Monoisotopic Molecular Weight | 178.047738042 |
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| IUPAC Name | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedial |
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| Traditional Name | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedial |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@](O)(C=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C=O |
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| InChI Identifier | InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1-6,9-12H/t3-,4+,5-,6-/m1/s1 |
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| InChI Key | VYPPEYAOCURAAE-JGWLITMVSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. |
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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 | Carbonyl compounds |
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| Direct Parent | Medium-chain aldehydes |
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| Alternative Parents | |
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| Substituents | - Medium-chain aldehyde
- Monosaccharide
- Beta-hydroxy aldehyde
- Alpha-hydroxyaldehyde
- Secondary alcohol
- 1,2-diol
- Polyol
- Organic oxide
- Hydrocarbon derivative
- Alcohol
- 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 | splash10-004i-1900000000-af7e9bbe8a2582bbb425 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0bt9-9100000000-88208ff5b3cf8d94472b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4l-9000000000-44cfd6cdef45741a338b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-05p9-8900000000-b4bbd02207e3d10c20b1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-052r-9200000000-90f9e6d2f529467d31e5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-f5d90c528f24b2e5d610 | Spectrum |
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