tetraazanium;bis(copper(1+));trisulfate

H16Cu2N4O12S3 — CID 173461918

IUPACtetraazanium;bis(copper(1+));trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+].[Cu+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/2Cu.4H3N.3H2O4S/c;;;;;;3*1-5(2,3)4/h;;4*1H3;3*(H2,1,2,3,4)/q2*+1;;;;;;;/p-2
InChIKeyGTTQLVKTIXVAGZ-UHFFFAOYSA-L
MW487.44 g/mol
LogP-2.51
Rot. Bonds

About tetraazanium;bis(copper(1+));trisulfate

tetraazanium;bis(copper(1+));trisulfate (PubChem CID 173461918) has the molecular formula H16Cu2N4O12S3 and a molecular weight of 487.44 g/mol. Its IUPAC name is tetraazanium;bis(copper(1+));trisulfate.

Molecular Properties

Compound Nametetraazanium;bis(copper(1+));trisulfate
PubChem CID173461918
Molecular FormulaH16Cu2N4O12S3
Molecular Weight487.44 g/mol
Exact Mass485.85
IUPAC Nametetraazanium;bis(copper(1+));trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+].[Cu+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/2Cu.4H3N.3H2O4S/c;;;;;;3*1-5(2,3)4/h;;4*1H3;3*(H2,1,2,3,4)/q2*+1;;;;;;;/p-2
InChIKeyGTTQLVKTIXVAGZ-UHFFFAOYSA-L
XLogP-2.51
TPSA386.78 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.44
LogP ≤ 5-2.51
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of tetraazanium;bis(copper(1+));trisulfate?
The IUPAC name of tetraazanium;bis(copper(1+));trisulfate (CID 173461918) is tetraazanium;bis(copper(1+));trisulfate.
What is the SMILES notation for tetraazanium;bis(copper(1+));trisulfate?
The canonical SMILES for tetraazanium;bis(copper(1+));trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+].[Cu+].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of tetraazanium;bis(copper(1+));trisulfate?
The InChIKey is GTTQLVKTIXVAGZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2Cu.4H3N.3H2O4S/c;;;;;;3*1-5(2,3)4/h;;4*1H3;3*(H2,1,2,3,4)/q2*+1;;;;;;;/p-2.
What are the key properties of tetraazanium;bis(copper(1+));trisulfate?
tetraazanium;bis(copper(1+));trisulfate has a molecular weight of 487.44 g/mol, XLogP of -2.51, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetraazanium;bis(copper(1+));trisulfate is sourced from PubChem (CID 173461918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).