[(2r,3r,4s,5r)-6-hydroxy-2-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] 2-methylpropanoate (CED0265933)

Record Information
Version1.0
Creation Date2026-08-29 12:17:03 UTC
Update Date2026-08-29 12:17:03 UTC
Accession NumberCHEM310950
Identification
Common Name[(2r,3r,4s,5r)-6-hydroxy-2-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] 2-methylpropanoate
ClassSmall Molecule
Description
[(2r,3r,4s,5r)-6-hydroxy-2-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] 2-methylpropanoate is a chemical compound with the formula C18H30O9. It has an average molecular weight of 390.40 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC18H30O9
Average Molecular MassNot Available
Monoisotopic Mass390.189 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)C(=O)OC1C(OC(C(C1OC(=O)C(C)C)OC(=O)C(C)C)O)CO
InChI IdentifierInChI=1S/C18H30O9/c1-8(2)15(20)25-12-11(7-19)24-18(23)14(27-17(22)10(5)6)13(12)26-16(21)9(3)4/h8-14,18-19,23H,7H2,1-6H3/t11-,12-,13+,14-,18?/m1/s1
InChI KeyNVEWKQZGZJWFKH-SXHVGMSVSA-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
3691.0Log mg/kg[2100:6600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
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)5.0602
Click to view 3D structureKiller cell lectin-like receptor subfamily B member 1AP27471Rattus norvegicusPredicted (SEA)1.40129
Click to view 3D structureType 1 fimbrin D-mannose specific adhesinP08191Escherichia coli K-12Predicted (SEA)8.40772
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)3.03612
Click to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)3.03612
Anthrax toxin receptor 2 structureClick to view 3D structureAnthrax toxin receptor 2P58335HumansPredicted (SEA)2.33548
N-acetylglucosamine-6-phosphate deacetylase structureClick to view 3D structureN-acetylglucosamine-6-phosphate deacetylaseQ9Y303HumansPredicted (SEA)3.65891
Click to view 3D structureAlpha-amylaseQ7M328Sus scrofa domesticusPredicted (SEA)1.79053
Galectin-3 structureClick to view 3D structureGalectin-3P17931HumansPredicted (SEA)17.9053
Galectin-9 structureClick to view 3D structureGalectin-9O00182HumansPredicted (SEA)17.1268
Click to view 3D structureLeukotriene C4 synthaseA6XA80Cavia porcellusPredicted (SEA)2.72472
Click to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP50127Sus scrofaPredicted (SEA)11.9888
Dipeptidyl peptidase 1 structureClick to view 3D structureDipeptidyl peptidase 1P53634HumansPredicted (SEA)377.102
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)2083.56
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)2314.69
Click to view 3D structureInositol 1,4,5-trisphosphate-gated calcium channel ITPR1P29994Rattus norvegicusPredicted (SEA)3.11397
Click to view 3D structureMuscarinic receptor 4Q8VH25Cavia porcellusPredicted (SEA)27.6365
Galectin-7 structureClick to view 3D structureGalectin-7P47929HumansPredicted (SEA)16.504
Click to view 3D structureGalectin-7O54974Mus musculusPredicted (SEA)21.8756
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)2750.8
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)3259.16
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)2116.1
Click to view 3D structureRibonuclease pancreaticP61823Bos taurusPredicted (SEA)27.0137
Click to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)68.8187
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)2179.16
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available