Basic information
- CAS
94023-20-8- Standard SMILES
O=P([O-])([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[H+].[H+].[H+].[K+].[K+].[K+].[K+].[K+]- InChIKey
FZWFYUHHGJEQGB-UHFFFAOYSA-I- Molecular formula
- C10H23K5N2O12P4
- Average molar mass
- 682.68 g/mol
- Monoisotopic mass
- 681.8386796
Names & identifiers
- Preferred name
- Pentapotassium trihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
- IUPAC
- pentapotassium;hydron;N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine
Names & synonyms
UNII-M9AHX58RXKM9AHX58RXKEINECS 301-617-0Pentapotassium trihydrogen (hexane-1,6-diylbis(nitrilobis(methylene)))tetrakisphosphonateDTXSID40240302Pentapotassium trihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonatePhosphonic acid, [1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-, pentapotassium saltPHOSPHONIC ACID, (1,6-HEXANEDIYLBIS(NITRILOBIS(METHYLENE)))TETRAKIS-, PENTAPOTASSIUM SALTRefChem:171460DTXCID00162793301-617-094023-20-8
Show more names
Potassium hydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate) (5/3/1)
Database identifiers
- CAS
94023-20-8- PubChem CID
- 56841306
- DTXSID
DTXSID40240302- EC Number
- 301-617-0
Properties
Computed structural properties
- Topological polar surface area
- 259 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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