(2r,3r)-2,3-dihydroxy-3-[(4s,5r)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoic acid (CED0310605)

Record Information
Version1.0
Creation Date2026-09-01 08:53:09 UTC
Update Date2026-09-01 08:53:09 UTC
Accession NumberCHEM356324
Identification
Common Name(2r,3r)-2,3-dihydroxy-3-[(4s,5r)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoic acid
ClassSmall Molecule
Description
(2r,3r)-2,3-dihydroxy-3-[(4s,5r)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoic acid is a chemical compound with the formula C6H11BO8. It has an average molecular weight of 221.96 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H11BO8
Average Molecular MassNot Available
Monoisotopic Mass222.055 g/mol
CAS Registry Number87-46-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESB1(OC(C(O1)C(C(C(=O)O)O)O)CO)O
InChI IdentifierInChI=1S/C6H11BO8/c8-1-2-5(15-7(13)14-2)3(9)4(10)6(11)12/h2-5,8-10,13H,1H2,(H,11,12)/t2-,3-,4-,5-/m1/s1
InChI KeyKJEUMRLAKARHEP-TXICZTDVSA-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
5552.0Log mg/kg[3100:9900]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
Ribose-5-phosphate isomerase B structureClick to view 3D structureRibose-5-phosphate isomerase BP9WKD7Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)1.32344
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)10.1982
6-phosphogluconolactonase structureClick to view 3D structure6-phosphogluconolactonaseQ9GRG6Trypanosoma bruceiPredicted (SEA)1.63483
Oligo-1,6-glucosidase IMA1 structureClick to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)61.8901
Lectin structureClick to view 3D structureLectinB4EH87Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))Predicted (SEA)22.4984
Click to view 3D structureBeta-mannosidaseO00462HumansPredicted (SEA)11.2881
S-ribosylhomocysteine lyase structureClick to view 3D structureS-ribosylhomocysteine lyaseO34667Bacillus subtilis (strain 168)Predicted (SEA)7.08428
Type 1 fimbrin D-mannose specific adhesin structureClick to view 3D structureType 1 fimbrin D-mannose specific adhesinP08191Escherichia coli K-12Predicted (SEA)25.8459
Click to view 3D structureHemagglutinin-neuraminidaseQ06992Human parainfluenza virus 1Predicted (SEA)3.34752
Click to view 3D structureNeuraminidaseB4URF0Influenza A virusPredicted (SEA)377.024
Neuraminidase structureClick to view 3D structureNeuraminidaseQ3S340Influenza B virusPredicted (SEA)5.13805
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)18.6838
CD44 antigen structureClick to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)18.6838
Click to view 3D structureSialidase-3Q9UQ49HumansPredicted (SEA)65.3155
Cytidine deaminase structureClick to view 3D structureCytidine deaminaseP32320HumansPredicted (SEA)56.9856
Metabotropic glutamate receptor 8 structureClick to view 3D structureMetabotropic glutamate receptor 8O00222HumansPredicted (SEA)2073.36
Click to view 3D structureKiller cell lectin-like receptor subfamily B member 1AP27471Rattus norvegicusPredicted (SEA)33.7866
Sialidase-2 structureClick to view 3D structureSialidase-2Q9Y3R4HumansPredicted (SEA)17.4382
Click to view 3D structureSialidase-1Q99519HumansPredicted (SEA)21.4085
Isoleucine--tRNA ligase structureClick to view 3D structureIsoleucine--tRNA ligaseP56690Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)Predicted (SEA)11.9109
Cytidine deaminase structureClick to view 3D structureCytidine deaminaseP56389Mus musculusPredicted (SEA)64.7706
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)6856.26
Click to view 3D structureS-ribosylhomocysteine lyaseP45578Escherichia coli K-12Predicted (SEA)22.9655
Click to view 3D structureS-ribosylhomocysteine lyaseQ9Z5X1Vibrio campbelliiPredicted (SEA)22.9655
Click to view 3D structureE-selectinP98105Rattus norvegicusPredicted (SEA)10.6653
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available