Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 03:29:15 UTC |
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Update Date | 2016-11-09 01:14:17 UTC |
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Accession Number | CHEM010860 |
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Identification |
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Common Name | D-Glucopyranose, 2-O-.beta.-D-glucopyranosyl- |
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Class | Small Molecule |
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Description | A glycosylglucose that is D-glucose attached to a beta-D-glucopyranosyl unit at position 2 via a glycosidic linkage. |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose | ChEBI | 2-O-beta-D-Glucopyranosyl-D-glucose | ChEBI | alpha-Sophorose | ChEBI | 2-O-b-D-Glucopyranosyl-b-D-glucopyranose | Generator | 2-O-Β-D-glucopyranosyl-β-D-glucopyranose | Generator | 2-O-b-D-Glucopyranosyl-D-glucose | Generator | 2-O-Β-D-glucopyranosyl-D-glucose | Generator | a-Sophorose | Generator | Α-sophorose | Generator | 2-O-beta-D-Glucopyranosyl-alpha-D-glucose | MeSH |
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Chemical Formula | C12H22O11 |
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Average Molecular Mass | 342.297 g/mol |
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Monoisotopic Mass | 342.116 g/mol |
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CAS Registry Number | 20429-79-2 |
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IUPAC Name | (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal |
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Traditional Name | sophorose |
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SMILES | [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)C=O |
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InChI Identifier | InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12-/m1/s1 |
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InChI Key | PZDOWFGHCNHPQD-VNNZMYODSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acyl glycosides |
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Direct Parent | Fatty acyl glycosides of mono- and disaccharides |
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Alternative Parents | |
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Substituents | - Fatty acyl glycoside of mono- or disaccharide
- Alkyl glycoside
- Disaccharide
- Glycosyl compound
- O-glycosyl compound
- Fatty alcohol
- Beta-hydroxy aldehyde
- Oxane
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Acetal
- Polyol
- Alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organic oxygen compound
- Aldehyde
- Primary alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | 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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GC-MS | GC-MS Spectrum - GC-MS (1 MEOX; 8 TMS) | splash10-0uxr-1963000000-b9854c93fb53cc502ca3 | Spectrum | GC-MS | GC-MS Spectrum - GC-MS (1 MEOX; 8 TMS) | splash10-0ldi-1931000000-0e017104b6da1cdbcd35 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03fu-3729000000-214558318f20e7283b15 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-9511000000-82277d46608a769f455c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-08fu-9410000000-0c904a08a9e2d020aa40 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-07dx-6942000000-fdf6eb5c63fbc9732beb | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-08i9-8920000000-ed413cfe38e08c226f56 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0929-9800000000-c5463cfdeaff3873d11e | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | C00001149 |
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BiGG ID | Not Available |
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BioCyc ID | CPD-13242 |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Sophorose |
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Chemspider ID | Not Available |
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ChEBI ID | 1230 |
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PubChem Compound ID | 92797 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | |
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