dialuminum;azane;trisulfate

H3Al2NO12S3 — CID 162155336

IUPACdialuminum;azane;trisulfate
SMILESN.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3]
InChIInChI=1S/2Al.H3N.3H2O4S/c;;;3*1-5(2,3)4/h;;1H3;3*(H2,1,2,3,4)/q2*+3;;;;/p-6
InChIKeyZLTFJCVIWPRJEA-UHFFFAOYSA-H
MW359.18 g/mol
LogP-4.61
Rot. Bonds

About dialuminum;azane;trisulfate

dialuminum;azane;trisulfate (PubChem CID 162155336) has the molecular formula H3Al2NO12S3 and a molecular weight of 359.18 g/mol. Its IUPAC name is dialuminum;azane;trisulfate.

Molecular Properties

Compound Namedialuminum;azane;trisulfate
PubChem CID162155336
Molecular FormulaH3Al2NO12S3
Molecular Weight359.18 g/mol
Exact Mass358.84
IUPAC Namedialuminum;azane;trisulfate
SMILESN.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3]
InChIInChI=1S/2Al.H3N.3H2O4S/c;;;3*1-5(2,3)4/h;;1H3;3*(H2,1,2,3,4)/q2*+3;;;;/p-6
InChIKeyZLTFJCVIWPRJEA-UHFFFAOYSA-H
XLogP-4.61
TPSA275.78 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.18
LogP ≤ 5-4.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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;tetrahydrate
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CID 159047443
dialuminum;trisulfate;dotriacontahydrate
CID 172707347
dialuminum;trisulfate;hexatriacontahydrate
CID 173430533
dialuminum;trisulfate;decahydrate
CID 157389097
aluminum;yttrium(3+);trisulfate
CID 157407961
dialuminum;iron;trisulfate
CID 173073080
hexadecasilver;octasulfate
CID 174664647
triazanium;azane;chloride;sulfate
CID 163745229
aluminum;potassium;hydroxide;sulfate
CID 160568468
dialuminum;calcium;hydride;trisulfate
CID 173168801

Frequently Asked Questions

What is the IUPAC name of dialuminum;azane;trisulfate?
The IUPAC name of dialuminum;azane;trisulfate (CID 162155336) is dialuminum;azane;trisulfate.
What is the SMILES notation for dialuminum;azane;trisulfate?
The canonical SMILES for dialuminum;azane;trisulfate is N.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].
What is the InChIKey of dialuminum;azane;trisulfate?
The InChIKey is ZLTFJCVIWPRJEA-UHFFFAOYSA-H. The full InChI is InChI=1S/2Al.H3N.3H2O4S/c;;;3*1-5(2,3)4/h;;1H3;3*(H2,1,2,3,4)/q2*+3;;;;/p-6.
What are the key properties of dialuminum;azane;trisulfate?
dialuminum;azane;trisulfate has a molecular weight of 359.18 g/mol, XLogP of -4.61, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;azane;trisulfate is sourced from PubChem (CID 162155336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).