(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-propan-2-yloxyoxane-2-carboxylic acid (CED0094809)

Record Information
Version1.0
Creation Date2026-04-06 09:28:21 UTC
Update Date2026-05-21 10:19:43 UTC
Accession NumberCHEM121638
Identification
Common Name(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-propan-2-yloxyoxane-2-carboxylic acid
ClassSmall Molecule
Description
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-propan-2-yloxyoxane-2-carboxylic acid belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This compound is identified as being found in or released from 13 recorded sources across several diverse sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. The compound is also present in the food, food processing and cookware sector, specifically within food packaging. In the healthcare, pharmaceuticals and veterinary products sector, it is linked to medical devices. Additionally, it is found in lubricants within both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. One additional sector is also recorded as a source. Recorded routes of exposure for this substance include inhalation, oral ingestion, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaNot Available
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H16O7/c1-3(2)15-9-6(12)4(10)5(11)7(16-9)8(13)14/h3-7,9-12H,1-2H3,(H,13,14)/t4-,5-,6+,7-,9?/m0/s1
InChI KeyZCIAYIYCMGRNQL-UBQDNYDRSA-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
4480.0Log mg/kg[2500:8000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureEndopolygalactyuronaseP79074Chondrostereum purpureumPredicted (SEA)0.0778492
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)1.55698
Click to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)1.55698
Click to view 3D structureATP-binding cassette sub-family C member 3O88563Rattus norvegicusPredicted (SEA)0.544945
Click to view 3D structureMultidrug resistance associated proteinQ96QA9Homo sapiensPredicted (SEA)0.544945
Alpha-L-iduronidase structureClick to view 3D structureAlpha-L-iduronidaseP35475HumansPredicted (SEA)2.41333
Click to view 3D structureATP-binding cassette sub-family C member 2Q63120Rattus norvegicusPredicted (SEA)0.389246
Click to view 3D structureNiemann-Pick C1-like 1 proteinA0MJA4Canis lupus familiarisPredicted (SEA)0.467095
Click to view 3D structureNiemann-Pick C1-like 1 proteinA0MJA5Macaca mulattaPredicted (SEA)0.467095
Neurotrophic factor BDNF precursor form structureClick to view 3D structureNeurotrophic factor BDNF precursor formP23560HumansPredicted (SEA)1.01204
Pleiotrophin structureClick to view 3D structurePleiotrophinP21246HumansPredicted (SEA)1.01204
Click to view 3D structureSolute carrier organic anion transporter family member 1B2Q9QZX8Rattus norvegicusPredicted (SEA)3.89246
Click to view 3D structureNPC1-like intracellular cholesterol transporter 1Q6T3U4Mus musculusPredicted (SEA)0.934191
Click to view 3D structureCMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1P54751Mus musculusPredicted (SEA)4.98235
Click to view 3D structurePA-I galactophilic lectinQ05097Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)5.2159
Click to view 3D structureP-selectinQ01102Mus musculusPredicted (SEA)12.8451
Click to view 3D structureE-selectinQ00690Mus musculusPredicted (SEA)12.8451
Click to view 3D structureL-selectinP18337Mus musculusPredicted (SEA)12.8451
Click to view 3D structureLectinB4EH87Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))Predicted (SEA)16.504
Click to view 3D structureType 1 fimbrin D-mannose specific adhesinP08191Escherichia coli K-12Predicted (SEA)18.606
Fucose-binding lectin PA-IIL structureClick to view 3D structureFucose-binding lectin PA-IILQ9HYN5Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)Predicted (SEA)3.65891
Isoleucine--tRNA ligase structureClick to view 3D structureIsoleucine--tRNA ligaseP56690Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)Predicted (SEA)1.08989
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)1422.15
Endoplasmin structureClick to view 3D structureEndoplasminP14625HumansPredicted (SEA)201.007
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)2297.56
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available