(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CED0134701)

Record Information
Version1.0
Creation Date2026-08-17 23:25:27 UTC
Update Date2026-08-17 23:25:27 UTC
Accession NumberCHEM144763
Identification
Common Name(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
ClassSmall Molecule
Description
(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol belongs to the purine 2'-deoxyribonucleosides, a subclass of purine nucleosides within the organic compounds. This compound has the chemical formula C10H12FN5O3 and an average molecular weight of 269.23 g/mol. It is found in or released from one recorded source: Electrical & Electronic Equipment (X Ray Tubes).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H12FN5O3
Average Molecular Mass269.230 g/mol
Monoisotopic Mass269.092 g/mol
CAS Registry Number64183-27-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
InChI KeyZGYYPTJWJBEXBC-QYYRPYCUSA-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
1222.0Log mg/kg[690:2200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
540X Ray TubesElectrical & 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 structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)2.10193
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)2.95827
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)4.35956
Click to view 3D structureAdenosine receptor A3P28647Rattus norvegicusPredicted (SEA)2.02408
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)0.856341
Endoplasmin structureClick to view 3D structureEndoplasminP14625HumansPredicted (SEA)0.544945
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)6.07224
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)7.55137
CD99 antigen structureClick to view 3D structureCD99 antigenP14209HumansPredicted (SEA)0.0778492
Click to view 3D structureS-methyl-5'-thioadenosine phosphorylaseQ9CQ65Mus musculusPredicted (SEA)0.934191
Click to view 3D structureAdenosine receptor A1P47745Cavia porcellusPredicted (SEA)1.63483
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)8.40772
Adenosylhomocysteinase structureClick to view 3D structureAdenosylhomocysteinaseP23526HumansPredicted (SEA)1.01204
Click to view 3D structureAdenosylhomocysteinaseP10760Rattus norvegicusPredicted (SEA)0.467095
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)4.67095
Click to view 3D structureNAD kinaseQ5HH78Staphylococcus aureus (strain COL)Predicted (SEA)0.389246
Click to view 3D structureNAD kinase 1Q8Y8D7Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)Predicted (SEA)0.389246
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)5.60514
ADP-ribose glycohydrolase MACROD1 structureClick to view 3D structureADP-ribose glycohydrolase MACROD1Q9BQ69HumansPredicted (SEA)1.63483
ADP-ribose glycohydrolase MACROD2 structureClick to view 3D structureADP-ribose glycohydrolase MACROD2A1Z1Q3HumansPredicted (SEA)1.63483
Click to view 3D structureAdenosine receptor A1P28190Bos taurusPredicted (SEA)6.61718
Adenosine kinase structureClick to view 3D structureAdenosine kinaseP55263HumansPredicted (SEA)0.700643
Click to view 3D structureAdenosine kinaseP9WID5Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)0.0778492
High affinity choline transporter 1 structureClick to view 3D structureHigh affinity choline transporter 1Q9GZV3HumansPredicted (SEA)0.622794
Click to view 3D structureP2Y purinoceptor 1P49652Meleagris gallopavoPredicted (SEA)2.64687
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available