Galactinol dihydrate
PubChem CID
16218555
Structure
Molecular Formula
Synonyms
- Galactinol dihydrate
- 16908-86-4
- GalactinolHydrate
- 1217474-91-3
- Galactinol (dihydrate)
Molecular Weight
378.33 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2007-07-16
- Modify:2025-01-11
Description
Galactinol dihydrate is a disaccharide.
Chemical Structure Depiction
3D Conformer of Parent
(1R,2R,4S,5R)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol;dihydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
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
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
HGCURVXTXVAIIR-XIENVMDPSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@H](C([C@H]([C@H]2O)O)O)O)O)O)O)O)O.O.O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H26O13
Computed by PubChem 2.2 (PubChem release 2021.10.14)
16908-86-4
- 1-O-(alpha-D-galactopyranosyl)-myo-inositol dihydrate
- 6 beta-galactinol
- galactinol
- galactinol dihydrate
- Galactinol dihydrate
- 16908-86-4
- GalactinolHydrate
- 1217474-91-3
- Galactinol (dihydrate)
- (1R,2R,4S,5R)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol;dihydrate
- (1R,2S,4R,5R)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol;dihydrate
- Galactinol Hydrate; 1-O-a-D-Galactopyranosyl-L-myo-inositol Hydrate;
- CHEBI:88379
- DTXSID30584969
- HGCURVXTXVAIIR-XIENVMDPSA-N
- 1-O-(alpha-D-galactopyranosyl)-myo-inositol dihydrate
- Galactinol dihydrate, analytical standard
- AS-85923
- MS-26162
- HY-135258
- 1-O-a-D-Galactopyranosyl-L-myo-inositol hydrate
- 1-O-alpha-D-galactopyranosyl-myo-inositol, dihydrate
- Q27160224
- (2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl alpha-D-galactopyranoside--water (1/2)
- (1R,2R,3S,4S,5R,6S)-6-(((2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)cyclohexane-1,2,3,4,5-pentaol dihydrate
- (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
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
378.33 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
11
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
13
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
378.13734088 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
378.13734088 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
203 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
25
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
379
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
9
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
New Zealand EPA Inventory of Chemical Status
D-myo-Inositol, 1-O-.alpha.-D-galactopyranosyl-: Does not have an individual approval but may be used under an appropriate group standard
- ChEBIGalactinol dihydratehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88379
- EPA DSSTox(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl alpha-D-galactopyranoside--water (1/2)https://comptox.epa.gov/dashboard/DTXSID30584969CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/D-myo-Inositol, 1-O-.alpha.-D-galactopyranosyl-https://www.epa.govt.nz/industry-areas/hazardous-substances/guidance-for-importers-and-manufacturers/hazardous-substances-databases/
- Metabolomics WorkbenchGalactinol dihydratehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=41511
- Natural Product Activity and Species Source (NPASS)
- WikidataGalactinol dihydratehttps://www.wikidata.org/wiki/Q27160224
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html6 beta-galactinolhttps://www.ncbi.nlm.nih.gov/mesh/67013536
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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