aluminum;phosphate;sulfate

AlO8PS-2 — CID 18435162

IUPACaluminum;phosphate;sulfate
SMILESO=P([O-])([O-])[O-].O=S(=O)([O-])[O-].[Al+3]
InChIInChI=1S/Al.H3O4P.H2O4S/c;2*1-5(2,3)4/h;(H3,1,2,3,4);(H2,1,2,3,4)/q+3;;/p-5
InChIKeyWTDPSUUWWKMZLE-UHFFFAOYSA-I
MW218.01 g/mol
LogP-4.54
Rot. Bonds

About aluminum;phosphate;sulfate

aluminum;phosphate;sulfate (PubChem CID 18435162) has the molecular formula AlO8PS-2 and a molecular weight of 218.01 g/mol. Its IUPAC name is aluminum;phosphate;sulfate.

Molecular Properties

Compound Namealuminum;phosphate;sulfate
PubChem CID18435162
Molecular FormulaAlO8PS-2
Molecular Weight218.01 g/mol
Exact Mass217.89
IUPAC Namealuminum;phosphate;sulfate
SMILESO=P([O-])([O-])[O-].O=S(=O)([O-])[O-].[Al+3]
InChIInChI=1S/Al.H3O4P.H2O4S/c;2*1-5(2,3)4/h;(H3,1,2,3,4);(H2,1,2,3,4)/q+3;;/p-5
InChIKeyWTDPSUUWWKMZLE-UHFFFAOYSA-I
XLogP-4.54
TPSA166.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 5-4.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze aluminum;phosphate;sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aluminum;trisodium;phosphate;sulfate;tetradecahydrate
CID 159736606
dicalcium;phosphate;sulfate
CID 19375376
potassium;copper(1+);phosphate;sulfate
CID 23088390
calcium;trizinc;diphosphate;sulfate
CID 173302517
zinc;titanium(4+);vanadium;zirconium(4+);phosphate;sulfate
CID 158672464
trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate
CID 172871694
dialuminum;lithium;titanium(4+);phosphate
CID 157281489
trialuminum;triphosphate
CID 23371115
aluminum;lithium;sulfate
CID 23446975
bis(barium(2+));hydrogen sulfate;phosphate
CID 158393745
pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate
CID 173197799
dilithium;bis(iron(2+));diphosphate
CID 157234237

Frequently Asked Questions

What is the IUPAC name of aluminum;phosphate;sulfate?
The IUPAC name of aluminum;phosphate;sulfate (CID 18435162) is aluminum;phosphate;sulfate.
What is the SMILES notation for aluminum;phosphate;sulfate?
The canonical SMILES for aluminum;phosphate;sulfate is O=P([O-])([O-])[O-].O=S(=O)([O-])[O-].[Al+3].
What is the InChIKey of aluminum;phosphate;sulfate?
The InChIKey is WTDPSUUWWKMZLE-UHFFFAOYSA-I. The full InChI is InChI=1S/Al.H3O4P.H2O4S/c;2*1-5(2,3)4/h;(H3,1,2,3,4);(H2,1,2,3,4)/q+3;;/p-5.
What are the key properties of aluminum;phosphate;sulfate?
aluminum;phosphate;sulfate has a molecular weight of 218.01 g/mol, XLogP of -4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;phosphate;sulfate is sourced from PubChem (CID 18435162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).