| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:23:49 UTC |
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| Update Date | 2020-04-22 15:46:15 UTC |
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| BMDB ID | BMDB0011739 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Galactinol dihydrate |
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| Description | Galactinol dihydrate belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Galactinol dihydrate 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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| Galactinol dihydric acid | Generator | | 6-beta-Galactinol | HMDB | | (1R,2R,4S,5R)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol dihydric acid | Generator | | Galactinol dihydrate | MeSH | | 1-O-(alpha-D-Galactopyranosyl)-myo-inositol dihydrate | MeSH | | Galactinol | MeSH | | 6 beta-Galactinol | MeSH |
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| Chemical Formula | C12H26O13 |
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| Average Molecular Weight | 378.327 |
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| Monoisotopic Molecular Weight | 378.137340918 |
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| IUPAC Name | (1R,2R,4S,5R)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol dihydrate |
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| Traditional Name | galactinol dihydrate |
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| CAS Registry Number | Not Available |
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| SMILES | O.O.OC[C@H]1O[C@H](OC2[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |
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| InChI Identifier | InChI=1S/C12H22O11.2H2O/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20;;/h2-21H,1H2;2*1H2/t2-,3+,4+,5?,6-,7+,8-,9-,10-,11?,12-;;/m1../s1 |
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| InChI Key | HGCURVXTXVAIIR-XIENVMDPSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-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 | O-glycosyl compounds |
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| Alternative Parents | |
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| Substituents | - O-glycosyl compound
- Cyclohexanol
- Cyclitol or derivatives
- Monosaccharide
- Oxane
- Cyclic alcohol
- Secondary alcohol
- Polyol
- Organoheterocyclic compound
- Oxacycle
- Acetal
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Primary 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 | Expected but not Quantified |
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| Origin | |
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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 | Solid |
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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 | |
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