2-[4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol (CED0266110)

Record Information
Version1.0
Creation Date2026-08-29 12:33:54 UTC
Update Date2026-08-29 12:33:54 UTC
Accession NumberCHEM311131
Identification
Common Name2-[4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
ClassSmall Molecule
Description
2-[4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol is a chemical compound with the formula C18H35N5O7. It has an average molecular weight of 433.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC18H35N5O7
Average Molecular MassNot Available
Monoisotopic Mass433.254 g/mol
CAS Registry Number53759-50-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCNC1C(COC(C1O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O
InChI IdentifierInChI=1S/C18H35N5O7/c1-23-12-11(24)6-27-18(13(12)25)30-16-10(22)4-9(21)15(14(16)26)29-17-8(20)3-2-7(5-19)28-17/h2,8-18,23-26H,3-6,19-22H2,1H3
InChI KeyDAKDDLIZULPEFW-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
7715.0Log mg/kg[4300:14000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
619Manicure PedicurePersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Gap junction beta-2 protein structureClick to view 3D structureGap junction beta-2 proteinP29033HumansPredicted (SEA)0.778492
Gap junction alpha-1 protein structureClick to view 3D structureGap junction alpha-1 proteinP17302HumansPredicted (SEA)0.544945
Click to view 3D structureHuman immunodeficiency virus type 1 REVQ77Y21Human immunodeficiency virus 1Predicted (SEA)0.700643
Beta-ketoacyl-[acyl-carrier-protein] synthase III structureClick to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIP0A6R0Escherichia coli (strain K12)Predicted (SEA)1.16774
Click to view 3D structureAlpha-amylaseQ7M328Sus scrofa domesticusPredicted (SEA)10.2761
Click to view 3D structure3-oxoacyl-[acyl-carrier-protein] synthase 3C3TDZ2Escherichia coliPredicted (SEA)2.10193
Click to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP50127Sus scrofaPredicted (SEA)82.9873
Click to view 3D structureAminoglycoside acetyltransferaseQ70E71Enterococcus duransPredicted (SEA)50.1349
Click to view 3D structureNeuraminidaseB4URF0Influenza A virusPredicted (SEA)1066.61
Click to view 3D structureChitin synthase 1P08004Saccharomyces cerevisiae S288cPredicted (SEA)8.71911
Click to view 3D structureNeuraminidaseP03468Influenza A virus (A/Puerto Rico/8/1934(H1N1))Predicted (SEA)1143.22
Maltase-glucoamylase structureClick to view 3D structureMaltase-glucoamylaseO43451HumansPredicted (SEA)186.76
Neuraminidase structureClick to view 3D structureNeuraminidaseP03474Influenza B virus (strain B/Lee/1940)Predicted (SEA)217.277
Click to view 3D structureSialidaseP10481Clostridium perfringensPredicted (SEA)262.585
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)51.8476
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)27.4029
Click to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)27.4029
Click to view 3D structureNeuraminidaseP03469Influenza A virus (strain A/USSR/90/1977 H1N1)Predicted (SEA)931.777
Click to view 3D structureNeuraminidaseA5Z252Influenza A virusPredicted (SEA)1118.3
Heparanase structureClick to view 3D structureHeparanaseQ9Y251HumansPredicted (SEA)265.31
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)6432.6
Asialoglycoprotein receptor 1 structureClick to view 3D structureAsialoglycoprotein receptor 1P07306HumansPredicted (SEA)41.1044
Click to view 3D structureNeuraminidaseQ6Q793Influenza A virusPredicted (SEA)92.8741
Click to view 3D structureNeuraminidaseQ2LFS1Influenza A virusPredicted (SEA)909.746
Click to view 3D structureNeuraminidaseC4LRQ6Influenza A virusPredicted (SEA)382.318
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available