| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-08-06 05:42:56 UTC |
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| Update Date | 2016-08-06 20:11:01 UTC |
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| Lmdb | LMDB01070 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | beta-D-methylfructofuranoside |
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| Description | (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| (alpha-D)-Isomer OF methylfructoside | MeSH | | 1-O-Methylfructofuranose | MeSH | | Methyl-alpha-D-fructofuranoside | MeSH | | Methyl-beta-D-fructofuranoside | MeSH | | Methyl-beta-D-fructoside | MeSH | | Methylfructoside | MeSH |
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| Chemical Formula | C7H14O6 |
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| Average Molecular Weight | 194.183 |
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| Monoisotopic Molecular Weight | 194.079038171 |
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| IUPAC Name | (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol |
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| Traditional Name | (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]1(O)[C@@]([H])(CO)O[C@@](CO)(OC)[C@@]1([H])O |
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| InChI Identifier | InChI=1S/C7H14O6/c1-12-7(3-9)6(11)5(10)4(2-8)13-7/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1 |
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| InChI Key | JPHVNZOOBXUCDJ-MVIOUDGNSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. |
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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 | C-glycosyl compounds |
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| Alternative Parents | |
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| Substituents | - C-glycosyl compound
- Pentose monosaccharide
- Ketal
- Monosaccharide
- Tetrahydrofuran
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Acetal
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic 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 | splash10-0002-1900000000-2d59492c5146e1e46791 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-002b-3900000000-f5bde448efbd6951f7d0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-002f-9000000000-c214e6e4a2b76697ac6a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-2900000000-31fee53c4ad7d354c6a1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03dm-0900000000-c91dbad2cb4b8348c006 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9200000000-101662c9467d44e5dba7 | Spectrum |
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