dialuminum;dipotassium;hydride;trisulfate;dihydrate

H6Al2K2O14S3 — CID 173094004

IUPACdialuminum;dipotassium;hydride;trisulfate;dihydrate
SMILESO.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[H-].[H-].[K+].[K+]
InChIInChI=1S/2Al.2K.3H2O4S.2H2O.2H/c;;;;3*1-5(2,3)4;;;;/h;;;;3*(H2,1,2,3,4);2*1H2;;/q2*+3;2*+1;;;;;;2*-1/p-6
InChIKeySRCGTYAWYXJNBP-UHFFFAOYSA-H
MW458.40 g/mol
LogP-12.19
Rot. Bonds

About dialuminum;dipotassium;hydride;trisulfate;dihydrate

dialuminum;dipotassium;hydride;trisulfate;dihydrate (PubChem CID 173094004) has the molecular formula H6Al2K2O14S3 and a molecular weight of 458.40 g/mol. Its IUPAC name is dialuminum;dipotassium;hydride;trisulfate;dihydrate.

Molecular Properties

Compound Namedialuminum;dipotassium;hydride;trisulfate;dihydrate
PubChem CID173094004
Molecular FormulaH6Al2K2O14S3
Molecular Weight458.40 g/mol
Exact Mass457.78
IUPAC Namedialuminum;dipotassium;hydride;trisulfate;dihydrate
SMILESO.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[H-].[H-].[K+].[K+]
InChIInChI=1S/2Al.2K.3H2O4S.2H2O.2H/c;;;;3*1-5(2,3)4;;;;/h;;;;3*(H2,1,2,3,4);2*1H2;;/q2*+3;2*+1;;;;;;2*-1/p-6
InChIKeySRCGTYAWYXJNBP-UHFFFAOYSA-H
XLogP-12.19
TPSA303.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.40
LogP ≤ 5-12.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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dialuminum;trisulfate;decahydrate
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dialuminum;dipotassium;chromium;hydride;nickel;trisulfate
CID 173445009
aluminum;potassium;hydroxide;sulfate
CID 160568468
dialuminum;calcium;hydride;trisulfate
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CID 24848855
oxovanadium(2+);sulfate;dihydrate
CID 19884450
aluminum;magnesium;sulfate;heptahydrate
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CID 172850591
potassium;chromium(2+);sulfate;dodecahydrate
CID 18668487

Frequently Asked Questions

What is the IUPAC name of dialuminum;dipotassium;hydride;trisulfate;dihydrate?
The IUPAC name of dialuminum;dipotassium;hydride;trisulfate;dihydrate (CID 173094004) is dialuminum;dipotassium;hydride;trisulfate;dihydrate.
What is the SMILES notation for dialuminum;dipotassium;hydride;trisulfate;dihydrate?
The canonical SMILES for dialuminum;dipotassium;hydride;trisulfate;dihydrate is O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[H-].[H-].[K+].[K+].
What is the InChIKey of dialuminum;dipotassium;hydride;trisulfate;dihydrate?
The InChIKey is SRCGTYAWYXJNBP-UHFFFAOYSA-H. The full InChI is InChI=1S/2Al.2K.3H2O4S.2H2O.2H/c;;;;3*1-5(2,3)4;;;;/h;;;;3*(H2,1,2,3,4);2*1H2;;/q2*+3;2*+1;;;;;;2*-1/p-6.
What are the key properties of dialuminum;dipotassium;hydride;trisulfate;dihydrate?
dialuminum;dipotassium;hydride;trisulfate;dihydrate has a molecular weight of 458.40 g/mol, XLogP of -12.19, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;dipotassium;hydride;trisulfate;dihydrate is sourced from PubChem (CID 173094004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).