Pentaammonium trihydrogen (hexane-1,6-diylbis(nitrilobis(methylene)))tetrakisphosphonate

HCID 56841308

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 94023-22-0
Standard SMILES: O=P([O-])([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[H+].[H+].[H+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIKey: WIFCXSGFALMVIE-UHFFFAOYSA-N
Molecular formula: C10H43N7O12P4
Average molar mass: 577.38 g/mol
Monoisotopic mass: 577.19201782

Names & identifiers

Preferred name: Pentaammonium trihydrogen (hexane-1,6-diylbis(nitrilobis(methylene)))tetrakisphosphonate
IUPAC: pentaazanium;hydron;N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine

Names & synonyms

EINECS 301-619-1Pentaammonium trihydrogen (hexane-1,6-diylbis(nitrilobis(methylene)))tetrakisphosphonate94023-22-0DTXSID60240304Pentaammonium trihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonateRefChem:171286DTXCID20162795301-619-1Ammonium hydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate) (5/3/1)

Database identifiers

CAS: 94023-22-0
PubChem CID: 56841308
DTXSID: DTXSID60240304
EC Number: 301-619-1

Properties

Computed structural properties

Topological polar surface area: 264 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 14
Rotatable bonds: 11
Heavy atoms: 33
Formal charge: 0
Complexity: 501

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…