[2-[2-[bis(phosphonomethyl)amino]ethoxy]ethyl-(phosphonomethyl)amino]methylphosphonic acid (CED0313844)

Record Information
Version1.0
Creation Date2026-09-01 13:30:03 UTC
Update Date2026-09-01 13:30:03 UTC
Accession NumberCHEM359715
Identification
Common Name[2-[2-[bis(phosphonomethyl)amino]ethoxy]ethyl-(phosphonomethyl)amino]methylphosphonic acid
ClassSmall Molecule
Description
[2-[2-[bis(phosphonomethyl)amino]ethoxy]ethyl-(phosphonomethyl)amino]methylphosphonic acid is a compound with the formula C8H24N2O13P4. It has an average molecular weight of 480.18 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H24N2O13P4
Average Molecular MassNot Available
Monoisotopic Mass480.023 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESC(COCCN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O
InChI IdentifierInChI=1S/C8H24N2O13P4/c11-24(12,13)5-9(6-25(14,15)16)1-3-23-4-2-10(7-26(17,18)19)8-27(20,21)22/h1-8H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)
InChI KeyYSMAMMWBEBTNEH-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
6683.0Log mg/kg[3800:12000]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 structure1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplasticQ9XFS9Arabidopsis thalianaPredicted (SEA)0.700643
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseQ55663Synechocystis sp. (strain PCC 6803 / Kazusa)Predicted (SEA)0.700643
Click to view 3D structureFructose-bisphosphate aldolase class IIA0A380PJR2Yersinia pestisPredicted (SEA)0.700643
Click to view 3D structureFructose-bisphosphate aldolaseP56109Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)0.934191
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseP9WNS1Mycobacterium tuberculosisPredicted (SEA)1.55698
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseA0QVH7Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)Predicted (SEA)0.856341
1-deoxy-D-xylulose 5-phosphate reductoisomerase structureClick to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseP45568Escherichia coli (strain K12)Predicted (SEA)2.88042
Click to view 3D structureFructose-bisphosphate aldolaseQ9URB4Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)1.86838
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseW8T2T2Escherichia coliPredicted (SEA)0.856341
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)4.28171
Click to view 3D structure4-hydroxy-3-methylbut-2-enyl diphosphate reductaseO67625Aquifex aeolicus (strain VF5)Predicted (SEA)1.63483
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplasticQ8IKG4Plasmodium falciparum (isolate 3D7)Predicted (SEA)2.02408
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)3429.96
Click to view 3D structureBeta-lactamase VIM-1Q9XAY4Pseudomonas aeruginosaPredicted (SEA)2.88042
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)3855.4
Fructose-bisphosphate aldolase class 2 structureClick to view 3D structureFructose-bisphosphate aldolase class 2P0AB71Escherichia coli (strain K12)Predicted (SEA)3.73676
Xanthine-guanine phosphoribosyltransferase structureClick to view 3D structureXanthine-guanine phosphoribosyltransferaseP0A9M5Escherichia coli (strain K12)Predicted (SEA)9.49761
Click to view 3D structureTriosephosphate isomeraseP00939Oryctolagus cuniculusPredicted (SEA)1.32344
Click to view 3D structurePhosphoheptose isomeraseQ93UJ2Burkholderia pseudomallei (strain K96243)Predicted (SEA)1.94623
Click to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)2.25763
Click to view 3D structureInositol 1,4,5-trisphosphate-gated calcium channel ITPR3Q8WN95Bos taurusPredicted (SEA)1.79053
Click to view 3D structurePhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2Q6P549Mus musculusPredicted (SEA)3.19182
Type II inositol 1,4,5-trisphosphate 5-phosphatase structureClick to view 3D structureType II inositol 1,4,5-trisphosphate 5-phosphataseP32019HumansPredicted (SEA)3.19182
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)5795.41
Click to view 3D structure2-dehydro-3-deoxyphosphooctonate aldolaseQ9JZ55Neisseria meningitidis serogroup B (strain MC58)Predicted (SEA)9.41976
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available