(3r,4s,5s,6r)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol (CED0231449)

Record Information
Version1.0
Creation Date2026-08-26 19:19:22 UTC
Update Date2026-08-26 19:19:22 UTC
Accession NumberCHEM275284
Identification
Common Name(3r,4s,5s,6r)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol
ClassSmall Molecule
Description
(3r,4s,5s,6r)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol belongs to the fatty acyl glycosides, a subclass of fatty acyls within the organic compounds. It is classified as a lipid and lipid-like molecule with the formula C10H20O6 and an average molecular weight of 236.26 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H20O6
Average Molecular MassNot Available
Monoisotopic Mass236.126 g/mol
CAS Registry Number31387-97-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCOC1C(C(C(C(O1)CO)O)O)O
InChI IdentifierInChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9-,10?/m1/s1
InChI KeyBZANQLIRVMZFOS-ZKZCYXTQSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5522.0Log mg/kg[3100:9800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureLectinB4EH87Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))Predicted (SEA)0.155698
Click to view 3D structureType 1 fimbrin D-mannose specific adhesinP08191Escherichia coli K-12Predicted (SEA)0.233548
Click to view 3D structureEndo-beta-N-acetylglucosaminidaseQ9ZB22Arthrobacter protophormiaePredicted (SEA)0.389246
Click to view 3D structurePA-I galactophilic lectinQ05097Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)0.311397
Click to view 3D structureTrehalose-phosphataseA8NS89Brugia malayiPredicted (SEA)0.700643
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)3.34752
Click to view 3D structureLysosomal alpha-glucosidaseQ6P7A9Rattus norvegicusPredicted (SEA)2.64687
Click to view 3D structureAsialoglycoprotein receptor 1P34927Mus musculusPredicted (SEA)0.311397
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)184.113
Click to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP50127Sus scrofaPredicted (SEA)2.02408
Galectin-3 structureClick to view 3D structureGalectin-3P17931HumansPredicted (SEA)8.79696
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)1.32344
Click to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)1.32344
Click to view 3D structurePeptidoglycan-N-acetylglucosamine deacetylaseQ8DP63Streptococcus pneumoniae (strain ATCC BAA-255 / R6)Predicted (SEA)1.32344
Click to view 3D structureNon-lysosomal glucosylceramidaseQ69ZF3Mus musculusPredicted (SEA)1.40129
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)187.694
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)350.633
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)323.775
Gap junction beta-2 protein structureClick to view 3D structureGap junction beta-2 proteinP29033HumansPredicted (SEA)0.934191
Click to view 3D structureLysosomal alpha-glucosidaseP70699Mus musculusPredicted (SEA)2.41333
Sodium/glucose cotransporter 2 structureClick to view 3D structureSodium/glucose cotransporter 2P31639HumansPredicted (SEA)11.366
Click to view 3D structureNon-lysosomal glucosylceramidaseQ9HCG7HumansPredicted (SEA)3.73676
Lysosomal alpha-glucosidase structureClick to view 3D structureLysosomal alpha-glucosidaseP10253HumansPredicted (SEA)3.81461
Lysosomal acid glucosylceramidase structureClick to view 3D structureLysosomal acid glucosylceramidaseP04062HumansPredicted (SEA)5.29375
Click to view 3D structureSucrase-isomaltaseB5THE3Mus musculusPredicted (SEA)2.56902
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available