aluminum;sodium;hydrogen phosphate;hydrate

H4AlNaO9P2 — CID 138394889

IUPACaluminum;sodium;hydrogen phosphate;hydrate
SMILESO.O=P([O-])([O-])O.O=P([O-])([O-])O.[Al+3].[Na+]
InChIInChI=1S/Al.Na.2H3O4P.H2O/c;;2*1-5(2,3)4;/h;;2*(H3,1,2,3,4);1H2/q+3;+1;;;/p-4
InChIKeyYYPVXTGCVNYXRV-UHFFFAOYSA-J
MW259.94 g/mol
LogP-8.59
Rot. Bonds

About aluminum;sodium;hydrogen phosphate;hydrate

aluminum;sodium;hydrogen phosphate;hydrate (PubChem CID 138394889) has the molecular formula H4AlNaO9P2 and a molecular weight of 259.94 g/mol. Its IUPAC name is aluminum;sodium;hydrogen phosphate;hydrate.

Molecular Properties

Compound Namealuminum;sodium;hydrogen phosphate;hydrate
PubChem CID138394889
Molecular FormulaH4AlNaO9P2
Molecular Weight259.94 g/mol
Exact Mass259.90
IUPAC Namealuminum;sodium;hydrogen phosphate;hydrate
SMILESO.O=P([O-])([O-])O.O=P([O-])([O-])O.[Al+3].[Na+]
InChIInChI=1S/Al.Na.2H3O4P.H2O/c;;2*1-5(2,3)4;/h;;2*(H3,1,2,3,4);1H2/q+3;+1;;;/p-4
InChIKeyYYPVXTGCVNYXRV-UHFFFAOYSA-J
XLogP-8.59
TPSA198.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.94
LogP ≤ 5-8.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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disodium;hydrogen phosphate;phosphoric acid;dodecahydrate
CID 174809343
pentaaluminum;hydrogen phosphate;triphosphate
CID 174876626
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
aluminum;hydrogen phosphate;fluoride
CID 157444743
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
aluminum;zinc;hydrogen phosphate;phosphate
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aluminum;hydrogen phosphate;nickel(2+);phosphate
CID 161108996
sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
CID 160530469
pentasodium;hydrogen phosphate;phosphoric acid;phosphate
CID 158487659

Frequently Asked Questions

What is the IUPAC name of aluminum;sodium;hydrogen phosphate;hydrate?
The IUPAC name of aluminum;sodium;hydrogen phosphate;hydrate (CID 138394889) is aluminum;sodium;hydrogen phosphate;hydrate.
What is the SMILES notation for aluminum;sodium;hydrogen phosphate;hydrate?
The canonical SMILES for aluminum;sodium;hydrogen phosphate;hydrate is O.O=P([O-])([O-])O.O=P([O-])([O-])O.[Al+3].[Na+].
What is the InChIKey of aluminum;sodium;hydrogen phosphate;hydrate?
The InChIKey is YYPVXTGCVNYXRV-UHFFFAOYSA-J. The full InChI is InChI=1S/Al.Na.2H3O4P.H2O/c;;2*1-5(2,3)4;/h;;2*(H3,1,2,3,4);1H2/q+3;+1;;;/p-4.
What are the key properties of aluminum;sodium;hydrogen phosphate;hydrate?
aluminum;sodium;hydrogen phosphate;hydrate has a molecular weight of 259.94 g/mol, XLogP of -8.59, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;sodium;hydrogen phosphate;hydrate is sourced from PubChem (CID 138394889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).