Basic information
- CAS
94021-26-8- Standard SMILES
O=P([O-])([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])O.[K+].[K+].[K+].[K+].[K+]- InChIKey
XULKYUDWHAHGLR-UHFFFAOYSA-I- Molecular formula
- C3H7K5NO9P3
- Average molar mass
- 489.5 g/mol
- Monoisotopic mass
- 488.7518992
Names & identifiers
- Preferred name
- Pentapotassium hydrogen [nitrilotris(methylene)]trisphosphonate
- IUPAC
- pentapotassium;[bis(phosphonatomethyl)amino]methyl-hydroxyphosphinate
- English name
- pentapotassium hydrogen [nitrilotris(methylene)]trisphosphonate
- Molecular formula
- C3H7K5NO9P3
- Molecular weight
- 489.501763
Names & synonyms
94021-26-8EINECS 301-419-4Pentapotassium hydrogen (nitrilotris(methylene))trisphosphonateDTXSID90240236PENTAPOTASSIUM HYDROGEN [NITRILOTRIS(METHYLENE)]TRISPHOSPHONATERefChem:171457DTXCID90162727301-419-4XULKYUDWHAHGLR-UHFFFAOYSA-IPentapotassium [{[(hydroxyphosphinato)methyl]azanediyl}bis(methylene)]bis(phosphonate)Phosphonic acid, nitrilotris(methylene)tris-, pentapotassium salt
Database identifiers
- CAS
94021-26-8- PubChem CID
- 44145656
- DTXSID
DTXSID90240236- EC Number
- 301-419-4
Properties
Computed structural properties
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPhosphonic acid, nitrilotris(methylene)tris-, pentapotassium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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