dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate

H15Al2Na3O32P8 — CID 138394176

IUPACdialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])([O-])O.[Al+3].[Al+3].[Na+].[Na+].[Na+]
InChIInChI=1S/2Al.3Na.8H3O4P/c;;;;;8*1-5(2,3)4/h;;;;;8*(H3,1,2,3,4)/q2*+3;3*+1;;;;;;;;/p-9
InChIKeyFTUJNWMMNUTGTH-UHFFFAOYSA-E
MW897.81 g/mol
LogP-22.87
Rot. Bonds

About dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate

dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate (PubChem CID 138394176) has the molecular formula H15Al2Na3O32P8 and a molecular weight of 897.81 g/mol. Its IUPAC name is dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate.

Molecular Properties

Compound Namedialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate
PubChem CID138394176
Molecular FormulaH15Al2Na3O32P8
Molecular Weight897.81 g/mol
Exact Mass897.68
IUPAC Namedialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])([O-])O.[Al+3].[Al+3].[Na+].[Na+].[Na+]
InChIInChI=1S/2Al.3Na.8H3O4P/c;;;;;8*1-5(2,3)4/h;;;;;8*(H3,1,2,3,4)/q2*+3;3*+1;;;;;;;;/p-9
InChIKeyFTUJNWMMNUTGTH-UHFFFAOYSA-E
XLogP-22.87
TPSA647.55 Ų
H-Bond Donors15
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500897.81
LogP ≤ 5-22.87
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
aluminum;sodium;hydrogen phosphate;hydrate
CID 138394889
sodium dihydroxy(32P)phosphinate
CID 23694678
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
pentaaluminum;hydrogen phosphate;triphosphate
CID 174876626
disodium;dihydrogen phosphate;fluoride
CID 159057923
disodium;dihydrogen phosphate;hydride
CID 160585046
aluminum;hydrogen phosphate;fluoride
CID 157444743
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
azanium;potassium;trisodium;dihydrogen phosphate;hydrogen phosphate;dichloride
CID 159394679
potassium;sodium;dihydrogen phosphate;chloride
CID 161315092
trisodium;hydrogen phosphate;methanolate
CID 174908769

Frequently Asked Questions

What is the IUPAC name of dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate?
The IUPAC name of dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate (CID 138394176) is dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate.
What is the SMILES notation for dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate?
The canonical SMILES for dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate is O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])([O-])O.[Al+3].[Al+3].[Na+].[Na+].[Na+].
What is the InChIKey of dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate?
The InChIKey is FTUJNWMMNUTGTH-UHFFFAOYSA-E. The full InChI is InChI=1S/2Al.3Na.8H3O4P/c;;;;;8*1-5(2,3)4/h;;;;;8*(H3,1,2,3,4)/q2*+3;3*+1;;;;;;;;/p-9.
What are the key properties of dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate?
dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate has a molecular weight of 897.81 g/mol, XLogP of -22.87, 0 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate is sourced from PubChem (CID 138394176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).