5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide (CED0309778)

Record Information
Version1.0
Creation Date2026-09-01 07:44:19 UTC
Update Date2026-09-01 07:44:19 UTC
Accession NumberCHEM355462
Identification
Common Name5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
ClassSmall Molecule
Description
5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide is a compound with the formula C5H10O3P+. It has an average molecular weight of 149.10 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H10O3P+
Average Molecular MassNot Available
Monoisotopic Mass149.037 g/mol
CAS Registry Number4090-60-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1(CO[P+](=O)OC1)C
InChI IdentifierInChI=1S/C5H10O3P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3/q+1
InChI KeyYTWYMHQAVLOJKT-UHFFFAOYSA-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
221.0Log mg/kg[120:390]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
678Nitrogenous FertilisersAgriculture & land managementNot Available
679Phosphatic FertilisersAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform structureClick to view 3D structureSerine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoformQ76MZ3Mus musculusPredicted (SEA)0.155698
Click to view 3D structureCarnitine palmitoyltransferase 1AQ9MYX2Sus scrofaPredicted (SEA)94.4311
Asialoglycoprotein receptor 1 structureClick to view 3D structureAsialoglycoprotein receptor 1P07306HumansPredicted (SEA)45.8532
Ferritin heavy chain structureClick to view 3D structureFerritin heavy chainP02794HumansPredicted (SEA)33.6309
Click to view 3D structureGamma-aminobutyric acid receptor subunit alpha-4P28471Rattus norvegicusPredicted (SEA)110.935
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)7489.33
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)7751.6
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7764.76
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)7770.83
Click to view 3D structureSerine-threonine protein phosphatase 2A regulatory subunitQ8AWE3Gallus gallusPredicted (SEA)1615.14
Click to view 3D structureExtended-spectrum beta-lactamase PER-6D5HSX5Aeromonas allosaccharophilaPredicted (SEA)508.667
Click to view 3D structureADC-14 proteinQ0VTR6Acinetobacter genomosp. 3Predicted (SEA)508.667
Click to view 3D structureBeta-lactamase SHV-11Q7X575Escherichia coliPredicted (SEA)508.667
Click to view 3D structureADC-16 proteinQ0VTR8Acinetobacter genomosp. 3Predicted (SEA)508.667
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)7766.16
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)7773.17
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)7769.74
Indoleamine 2,3-dioxygenase 1 structureClick to view 3D structureIndoleamine 2,3-dioxygenase 1P14902HumansPredicted (SEA)7651.57
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7780.17
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)7771.14
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)6766.73
Click to view 3D structureCarbonic anhydrase 2P27139Rattus norvegicusPredicted (SEA)51.614
Click to view 3D structureSerine/threonine-protein phosphataseQ9BPW0Homo sapiensPredicted (SEA)6810.87
Serine/threonine-protein phosphatase 5 structureClick to view 3D structureSerine/threonine-protein phosphatase 5P53041HumansPredicted (SEA)1675.47
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)7776.75
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available