Basic information
- CAS
94023-21-9- Standard SMILES
O=P([O-])([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[H+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]- InChIKey
MZEXUDZWBOOGHK-UHFFFAOYSA-G- Molecular formula
- C10H21K7N2O12P4
- Average molar mass
- 758.86 g/mol
- Monoisotopic mass
- 757.7504425
Names & identifiers
- Preferred name
- Heptapotassium hydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
- IUPAC
- heptapotassium;hydron;N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine
Names & synonyms
UNII-EI380F0C1ZEINECS 301-618-6EI380F0C1ZHeptapotassium hydrogen (hexane-1,6-diylbis(nitrilobis(methylene)))tetrakisphosphonateDTXSID00240303Heptapotassium hydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonatePhosphonic acid, [1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-, heptapotassium saltPHOSPHONIC ACID, (1,6-HEXANEDIYLBIS(NITRILOBIS(METHYLENE)))TETRAKIS-, HEPTAPOTASSIUM SALTRefChem:145696DTXCID60162794301-618-694023-21-9
Show more names
Potassium hydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate) (7/1/1)
Database identifiers
- CAS
94023-21-9- PubChem CID
- 56841307
- DTXSID
DTXSID00240303- EC Number
- 301-618-6
Properties
Computed structural properties
- Topological polar surface area
- 259 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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