4-amino-1-[[(5s)-2-hydroxy-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one (CED0313068)

Record Information
Version1.0
Creation Date2026-09-01 12:29:22 UTC
Update Date2026-09-01 12:29:22 UTC
Accession NumberCHEM358917
Identification
Common Name4-amino-1-[[(5s)-2-hydroxy-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one
ClassSmall Molecule
Description
4-amino-1-[[(5s)-2-hydroxy-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one is a chemical compound with the formula C8H12N3O5P and an average molecular weight of 261.17 g/mol. This substance has been found in or released from two recorded sources, specifically antennas and television systems within electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H12N3O5P
Average Molecular MassNot Available
Monoisotopic Mass261.051 g/mol
CAS Registry Number127757-45-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1C(OCP(=O)(O1)O)CN2C=CC(=NC2=O)N
InChI IdentifierInChI=1S/C8H12N3O5P/c9-7-1-2-11(8(12)10-7)3-6-4-16-17(13,14)5-15-6/h1-2,6H,3-5H2,(H,13,14)(H2,9,10,12)/t6-/m0/s1
InChI KeyYXQUGSXUDFTPLL-LURJTMIESA-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
4111.0Log mg/kg[2300:7300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Fibroblast growth factor receptor 1 structureClick to view 3D structureFibroblast growth factor receptor 1P11362HumansPredicted (SEA)388.312
Reverse transcriptase/RNaseH structureClick to view 3D structureReverse transcriptase/RNaseHQ72547Human immunodeficiency virus 1Predicted (SEA)23.2769
Capsid scaffolding protein structureClick to view 3D structureCapsid scaffolding proteinP16753HHV-5Predicted (SEA)0.544945
Tyrosine--tRNA ligase structureClick to view 3D structureTyrosine--tRNA ligaseP0AGJ9Escherichia coli (strain K12)Predicted (SEA)22.5763
Click to view 3D structureCyclic di-GMP phosphodiesterase RocRQ9HX69Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)18.7617
Click to view 3D structureSphingosine-1-phosphate lyase 1Q8R0X7Mus musculusPredicted (SEA)18.9174
Click to view 3D structure4-diphosphocytidyl-2-C-methyl-D-erythritol kinaseP62615Escherichia coli (strain K12)Predicted (SEA)26.7023
DNA polymerase subunit gamma-1 structureClick to view 3D structureDNA polymerase subunit gamma-1P54098HumansPredicted (SEA)12.1445
DNA polymerase beta structureClick to view 3D structureDNA polymerase betaP06746HumansPredicted (SEA)21.7978
Click to view 3D structureCyclic nucleotide-gated channel alpha-2Q00195Rattus norvegicusPredicted (SEA)35.4992
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)6906.71
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)3217.43
Genome polyprotein structureClick to view 3D structureGenome polyproteinP03300Poliovirus type 1 (strain Mahoney)Predicted (SEA)41.6493
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)5967.38
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)6301.97
C-X-C chemokine receptor type 4 structureClick to view 3D structureC-X-C chemokine receptor type 4P61073HumansPredicted (SEA)870.199
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)7053.37
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)7171.24
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)5681.12
Nuclear receptor coactivator 3 structureClick to view 3D structureNuclear receptor coactivator 3Q9Y6Q9HumansPredicted (SEA)1927.47
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)7134.26
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)7383.84
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)7419.03
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)7222.15
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7627.36
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available