(2S,3S,4S,5R)-6-(4-ethoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CED0144608)

Record Information

Version

1.0

Creation Date

2026-04-06 09:56:49 UTC

Update Date

2026-08-28 07:56:29 UTC

SynCED ID

CED0144608

Secondary Accession Numbers

CHEM122255

Identification

Common Name

(2S,3S,4S,5R)-6-(4-ethoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Class

Small Molecule

Description

(2S,3S,4S,5R)-6-(4-ethoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a chemical compound with the formula C14H18O8 and an average molecular weight of 314.29 g/mol. This substance has been identified in or released from 13 recorded sources across several sectors. Within Electrical & Electronic Equipment, it is associated with capacitors, batteries, cell phones, printed circuit boards, wires and cables, and one additional source. In the sector of Textiles, leather & furnishings, it is found in synthetic textiles as well as carpets and rugs. It is also linked to food packaging within the Food, food processing & cookware sector. Further recorded sources include medical devices from the Healthcare, pharmaceuticals & veterinary products sector, and lubricants used in both Energy, oil & gas and Industrial manufacturing & chemical processing. One additional sector has also been recorded. Exposure to this compound may occur through oral, inhalation, and touch routes.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₁₈O₈

Average Molecular Mass

Not Available

Monoisotopic Mass

314.100 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOC1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

InChI Identifier

InChI=1S/C14H18O8/c1-2-20-7-3-5-8(6-4-7)21-14-11(17)9(15)10(16)12(22-14)13(18)19/h3-6,9-12,14-17H,2H2,1H3,(H,18,19)/t9-,10-,11+,12-,14?/m0/s1

InChI Key

PHYRKQMERRGUEK-ZAOAHOKWSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
4475.0 Log mg/kg [2500:8000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Trehalose-phosphatase	A8NS89	Brugia malayi	Predicted (SEA)	Prediction Confidence Score 0.383 Applicability Domain 0.383 Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	Niemann-Pick C1-like 1 protein	A0MJA4	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.38 Applicability Domain 0.38 Statistical Significance 2.00e-05 Supporting Reference Compounds 1 E-value 0.155698
Click to view 3D structure	Niemann-Pick C1-like 1 protein	A0MJA5	Macaca mulatta	Predicted (SEA)	Prediction Confidence Score 0.38 Applicability Domain 0.38 Statistical Significance 2.00e-05 Supporting Reference Compounds 1 E-value 0.155698
Click to view 3D structure	NPC1-like intracellular cholesterol transporter 1	Q6T3U4	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.369 Applicability Domain 0.369 Statistical Significance 2.00e-05 Supporting Reference Compounds 1 E-value 0.155698
Click to view 3D structure	ATP-binding cassette sub-family C member 3	O88563	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.366 Applicability Domain 0.366 Statistical Significance 2.00e-05 Supporting Reference Compounds 1 E-value 0.155698
Click to view 3D structure	Multidrug resistance associated protein	Q96QA9	Homo sapiens	Predicted (SEA)	Prediction Confidence Score 0.366 Applicability Domain 0.366 Statistical Significance 2.00e-05 Supporting Reference Compounds 1 E-value 0.155698
Click to view 3D structure	Alpha-L-iduronidase	P35475	Humans	Predicted (SEA)	Prediction Confidence Score 0.355 Applicability Domain 0.355 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Endopolygalactyuronase	P79074	Chondrostereum purpureum	Predicted (SEA)	Prediction Confidence Score 0.351 Applicability Domain 0.351 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Sodium/glucose cotransporter 2	P31639	Humans	Predicted (SEA)	Prediction Confidence Score 0.338 Applicability Domain 0.377 Statistical Significance 0.0012 Supporting Reference Compounds 17 E-value 9.10836
Click to view 3D structure	ATP-binding cassette sub-family C member 2	Q63120	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.387 Statistical Significance 3.00e-05 Supporting Reference Compounds 12 E-value 0.233548
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.306 Statistical Significance 0.0041 Supporting Reference Compounds 1 E-value 31.996
Click to view 3D structure	Type 1 fimbrin D-mannose specific adhesin	P08191	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.429 Statistical Significance 4.70e-04 Supporting Reference Compounds 4 E-value 3.65891
Click to view 3D structure	N-acetyllactosaminide alpha-1,3-galactosyltransferase	P50127	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.3 Statistical Significance 3.10e-04 Supporting Reference Compounds 1 E-value 2.41333
Click to view 3D structure	CD44 antigen	P16070	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.297 Low confidence Statistical Significance 2.00e-04 Supporting Reference Compounds 1 E-value 1.55698
Click to view 3D structure	CD44 antigen	P15379	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.297 Low confidence Statistical Significance 2.00e-04 Supporting Reference Compounds 1 E-value 1.55698
Click to view 3D structure	Sodium/glucose cotransporter 2	Q923I7	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.377 Statistical Significance 8.40e-04 Supporting Reference Compounds 7 E-value 6.53933
Click to view 3D structure	Sodium/glucose cotransporter 1	P13866	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.377 Statistical Significance 0.0013 Supporting Reference Compounds 14 E-value 10.3539
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.35 Statistical Significance 0.0421 Supporting Reference Compounds 372 E-value 327.745
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.35 Statistical Significance 0.0377 Supporting Reference Compounds 332 E-value 293.492
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.304 Statistical Significance 0.0488 Supporting Reference Compounds 391 E-value 379.671
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.304 Statistical Significance 0.0269 Supporting Reference Compounds 221 E-value 209.648
Click to view 3D structure	Neurotrophic factor BDNF precursor form	P23560	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.274 Low confidence Statistical Significance 9.00e-05 Supporting Reference Compounds 2 E-value 0.700643
Click to view 3D structure	Pleiotrophin	P21246	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.274 Low confidence Statistical Significance 9.00e-05 Supporting Reference Compounds 1 E-value 0.700643
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.3 Statistical Significance 0.0436 Supporting Reference Compounds 242 E-value 339.812
Click to view 3D structure	Taste receptor type 2 member 16	Q9NYV7	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.435 Statistical Significance 2.30e-04 Supporting Reference Compounds 2 E-value 1.79053