tetrakis(dihydrogen phosphate);zirconium(4+)

H8O16P4Zr — CID 22328152

IUPACtetrakis(dihydrogen phosphate);zirconium(4+)
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Zr+4]
InChIInChI=1S/4H3O4P.Zr/c4*1-5(2,3)4;/h4*(H3,1,2,3,4);/q;;;;+4/p-4
InChIKeyNDZRILJASQYFSY-UHFFFAOYSA-J
MW479.17 g/mol
LogP-6.24
Rot. Bonds

About tetrakis(dihydrogen phosphate);zirconium(4+)

tetrakis(dihydrogen phosphate);zirconium(4+) (PubChem CID 22328152) has the molecular formula H8O16P4Zr and a molecular weight of 479.17 g/mol. Its IUPAC name is tetrakis(dihydrogen phosphate);zirconium(4+).

Molecular Properties

Compound Nametetrakis(dihydrogen phosphate);zirconium(4+)
PubChem CID22328152
Molecular FormulaH8O16P4Zr
Molecular Weight479.17 g/mol
Exact Mass477.78
IUPAC Nametetrakis(dihydrogen phosphate);zirconium(4+)
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Zr+4]
InChIInChI=1S/4H3O4P.Zr/c4*1-5(2,3)4;/h4*(H3,1,2,3,4);/q;;;;+4/p-4
InChIKeyNDZRILJASQYFSY-UHFFFAOYSA-J
XLogP-6.24
TPSA322.36 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.17
LogP ≤ 5-6.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
CID 139063709
zinc bis(dihydrogen phosphate)
CID 11253952
hexakis(dihydrogen phosphate);molybdenum
CID 18504359
sodium dihydroxy(32P)phosphinate
CID 23694678
lithium;dihydrogen phosphate;dihydrate
CID 162740177
disodium;dihydrogen phosphate;fluoride
CID 159057923
dipotassium;bis(dihydrogen phosphate);phosphoric acid
CID 19756002
tris(dihydrogen phosphate);oxygen(2-);vanadium
CID 53241738
disodium;dihydrogen phosphate;hydride
CID 160585046
lithium;dihydrogen phosphate;hydrate
CID 162740181
magnesium;dihydrogen phosphate;tetrahydrate
CID 23118847

Frequently Asked Questions

What is the IUPAC name of tetrakis(dihydrogen phosphate);zirconium(4+)?
The IUPAC name of tetrakis(dihydrogen phosphate);zirconium(4+) (CID 22328152) is tetrakis(dihydrogen phosphate);zirconium(4+).
What is the SMILES notation for tetrakis(dihydrogen phosphate);zirconium(4+)?
The canonical SMILES for tetrakis(dihydrogen phosphate);zirconium(4+) is O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Zr+4].
What is the InChIKey of tetrakis(dihydrogen phosphate);zirconium(4+)?
The InChIKey is NDZRILJASQYFSY-UHFFFAOYSA-J. The full InChI is InChI=1S/4H3O4P.Zr/c4*1-5(2,3)4;/h4*(H3,1,2,3,4);/q;;;;+4/p-4.
What are the key properties of tetrakis(dihydrogen phosphate);zirconium(4+)?
tetrakis(dihydrogen phosphate);zirconium(4+) has a molecular weight of 479.17 g/mol, XLogP of -6.24, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dihydrogen phosphate);zirconium(4+) is sourced from PubChem (CID 22328152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).