[(2r,3s,5s)-5-(2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate (CED0314973)

Record Information
Version1.0
Creation Date2026-09-01 15:23:55 UTC
Update Date2026-09-01 15:23:55 UTC
Accession NumberCHEM360905
Identification
Common Name[(2r,3s,5s)-5-(2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate
ClassSmall Molecule
Description
[(2r,3s,5s)-5-(2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate is a chemical compound with the formula C9H13FN2O10P2. It has an average molecular weight of 390.15 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H13FN2O10P2
Average Molecular MassNot Available
Monoisotopic Mass390.003 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)F
InChI IdentifierInChI=1S/C9H13FN2O10P2/c10-5-3-8(12-2-1-7(13)11-9(12)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,11,13,14)(H2,15,16,17)/t5-,6+,8-/m0/s1
InChI KeyWLQBZMZTRNPUDL-BBVRLYRLSA-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
6414.0Log mg/kg[3600:11000]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 structureThymidylate synthase ThyAP9WFR9Mycobacterium tuberculosisPredicted (SEA)0.778492
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)16.5819
Click to view 3D structureThymidylate synthaseP07607Mus musculusPredicted (SEA)6.46149
Click to view 3D structureP2Y purinoceptor 14O35881Rattus norvegicusPredicted (SEA)1.16774
Click to view 3D structureFlavin-dependent thymidylate synthaseP9WG57Mycobacterium tuberculosisPredicted (SEA)0.700643
Click to view 3D structureOrotidine phosphate decarboxylaseQ8T6J6Plasmodium falciparumPredicted (SEA)2.72472
Click to view 3D structureThymidine kinase, cytosolicP27158Rattus norvegicusPredicted (SEA)2.25763
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)9.41976
Click to view 3D structureRNA-directed RNA polymeraseO39930Hepatitis C VirusPredicted (SEA)4.9045
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP04818HumansPredicted (SEA)9.9647
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)3.50322
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)2.72472
Reverse transcriptase/RNaseH structureClick to view 3D structureReverse transcriptase/RNaseHQ72547Human immunodeficiency virus 1Predicted (SEA)0.155698
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)2.95827
Click to view 3D structureP2Y purinoceptor 2P41232Rattus norvegicusPredicted (SEA)2.10193
Click to view 3D structureThymidylate synthaseQ2TA32Bos taurusPredicted (SEA)0.311397
DNA polymerase beta structureClick to view 3D structureDNA polymerase betaP06746HumansPredicted (SEA)0.0778492
Click to view 3D structureP2Y purinoceptor 14Q15391HumansPredicted (SEA)3.19182
Click to view 3D structureP2Y purinoceptor 6Q63371Rattus norvegicusPredicted (SEA)3.19182
DNA polymerase delta catalytic subunit structureClick to view 3D structureDNA polymerase delta catalytic subunitP28340HumansPredicted (SEA)0.389246
DNA polymerase subunit gamma-1 structureClick to view 3D structureDNA polymerase subunit gamma-1P54098HumansPredicted (SEA)0.0778492
Ribonuclease pancreatic structureClick to view 3D structureRibonuclease pancreaticP07998HumansPredicted (SEA)1.47914
Non-secretory ribonuclease structureClick to view 3D structureNon-secretory ribonucleaseP10153HumansPredicted (SEA)1.47914
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP00469Lactobacillus caseiPredicted (SEA)4.04816
Click to view 3D structureRibonuclease pancreaticP61823Bos taurusPredicted (SEA)1.71268
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available