aluminum;hydrogen phosphate;nickel(2+);phosphate

HAlNiO8P2 — CID 161108996

IUPACaluminum;hydrogen phosphate;nickel(2+);phosphate
SMILESO=P([O-])([O-])O.O=P([O-])([O-])[O-].[Al+3].[Ni+2]
InChIInChI=1S/Al.Ni.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q+3;+2;;/p-5
InChIKeyPRIJYSPXLPEBIA-UHFFFAOYSA-I
MW276.62 g/mol
LogP-5.40
Rot. Bonds

About aluminum;hydrogen phosphate;nickel(2+);phosphate

aluminum;hydrogen phosphate;nickel(2+);phosphate (PubChem CID 161108996) has the molecular formula HAlNiO8P2 and a molecular weight of 276.62 g/mol. Its IUPAC name is aluminum;hydrogen phosphate;nickel(2+);phosphate.

Molecular Properties

Compound Namealuminum;hydrogen phosphate;nickel(2+);phosphate
PubChem CID161108996
Molecular FormulaHAlNiO8P2
Molecular Weight276.62 g/mol
Exact Mass275.83
IUPAC Namealuminum;hydrogen phosphate;nickel(2+);phosphate
SMILESO=P([O-])([O-])O.O=P([O-])([O-])[O-].[Al+3].[Ni+2]
InChIInChI=1S/Al.Ni.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q+3;+2;;/p-5
InChIKeyPRIJYSPXLPEBIA-UHFFFAOYSA-I
XLogP-5.40
TPSA169.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.62
LogP ≤ 5-5.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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pentasodium;hydrogen phosphate;phosphoric acid;phosphate
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aluminum;sodium;hydrogen phosphate;hydrate
CID 138394889
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CID 159566068
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CID 19708255

Frequently Asked Questions

What is the IUPAC name of aluminum;hydrogen phosphate;nickel(2+);phosphate?
The IUPAC name of aluminum;hydrogen phosphate;nickel(2+);phosphate (CID 161108996) is aluminum;hydrogen phosphate;nickel(2+);phosphate.
What is the SMILES notation for aluminum;hydrogen phosphate;nickel(2+);phosphate?
The canonical SMILES for aluminum;hydrogen phosphate;nickel(2+);phosphate is O=P([O-])([O-])O.O=P([O-])([O-])[O-].[Al+3].[Ni+2].
What is the InChIKey of aluminum;hydrogen phosphate;nickel(2+);phosphate?
The InChIKey is PRIJYSPXLPEBIA-UHFFFAOYSA-I. The full InChI is InChI=1S/Al.Ni.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q+3;+2;;/p-5.
What are the key properties of aluminum;hydrogen phosphate;nickel(2+);phosphate?
aluminum;hydrogen phosphate;nickel(2+);phosphate has a molecular weight of 276.62 g/mol, XLogP of -5.40, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;hydrogen phosphate;nickel(2+);phosphate is sourced from PubChem (CID 161108996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).