pentaaluminum;hydrogen phosphate;triphosphate

H3Al5O24P6 — CID 174876626

IUPACpentaaluminum;hydrogen phosphate;triphosphate
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-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3]
InChIInChI=1S/5Al.6H3O4P/c;;;;;6*1-5(2,3)4/h;;;;;6*(H3,1,2,3,4)/q5*+3;;;;;;/p-15
InChIKeyHYYZGINDNFNGNX-UHFFFAOYSA-A
MW707.75 g/mol
LogP-16.96
Rot. Bonds

About pentaaluminum;hydrogen phosphate;triphosphate

pentaaluminum;hydrogen phosphate;triphosphate (PubChem CID 174876626) has the molecular formula H3Al5O24P6 and a molecular weight of 707.75 g/mol. Its IUPAC name is pentaaluminum;hydrogen phosphate;triphosphate.

Molecular Properties

Compound Namepentaaluminum;hydrogen phosphate;triphosphate
PubChem CID174876626
Molecular FormulaH3Al5O24P6
Molecular Weight707.75 g/mol
Exact Mass707.65
IUPAC Namepentaaluminum;hydrogen phosphate;triphosphate
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-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3]
InChIInChI=1S/5Al.6H3O4P/c;;;;;6*1-5(2,3)4/h;;;;;6*(H3,1,2,3,4)/q5*+3;;;;;;/p-15
InChIKeyHYYZGINDNFNGNX-UHFFFAOYSA-A
XLogP-16.96
TPSA509.01 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.75
LogP ≤ 5-16.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Related Compounds

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CID 161108996
aluminum;zinc;hydrogen phosphate;phosphate
CID 159394914
decaaluminum;phosphoric acid;decaphosphate
CID 173424288
aluminum;hydrogen phosphate;fluoride
CID 157444743
dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate
CID 138394176
dipotassium;trisodium;hydrogen phosphate;phosphate
CID 22665013
pentasodium;hydrogen phosphate;phosphoric acid;phosphate
CID 158487659
aluminum;sodium;hydrogen phosphate;hydrate
CID 138394889
hydrogen phosphate;bis(lutetium(3+))
CID 159566068
bis(chromium(3+));hydrogen phosphate
CID 19708255
hafnium;hydrogen phosphate
CID 160536753
trialuminum;triphosphate
CID 23371115

Frequently Asked Questions

What is the IUPAC name of pentaaluminum;hydrogen phosphate;triphosphate?
The IUPAC name of pentaaluminum;hydrogen phosphate;triphosphate (CID 174876626) is pentaaluminum;hydrogen phosphate;triphosphate.
What is the SMILES notation for pentaaluminum;hydrogen phosphate;triphosphate?
The canonical SMILES for pentaaluminum;hydrogen phosphate;triphosphate 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-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].
What is the InChIKey of pentaaluminum;hydrogen phosphate;triphosphate?
The InChIKey is HYYZGINDNFNGNX-UHFFFAOYSA-A. The full InChI is InChI=1S/5Al.6H3O4P/c;;;;;6*1-5(2,3)4/h;;;;;6*(H3,1,2,3,4)/q5*+3;;;;;;/p-15.
What are the key properties of pentaaluminum;hydrogen phosphate;triphosphate?
pentaaluminum;hydrogen phosphate;triphosphate has a molecular weight of 707.75 g/mol, XLogP of -16.96, 0 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for pentaaluminum;hydrogen phosphate;triphosphate is sourced from PubChem (CID 174876626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).