tetrasodium;sulfuric acid;disulfate

H4Na4O16S4 — CID 172828652

IUPACtetrasodium;sulfuric acid;disulfate
SMILESO=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4Na.4H2O4S/c;;;;4*1-5(2,3)4/h;;;;4*(H2,1,2,3,4)/q4*+1;;;;/p-4
InChIKeyVFJPBDLYEGOQPR-UHFFFAOYSA-J
MW480.24 g/mol
LogP-15.97
Rot. Bonds

About tetrasodium;sulfuric acid;disulfate

tetrasodium;sulfuric acid;disulfate (PubChem CID 172828652) has the molecular formula H4Na4O16S4 and a molecular weight of 480.24 g/mol. Its IUPAC name is tetrasodium;sulfuric acid;disulfate.

Molecular Properties

Compound Nametetrasodium;sulfuric acid;disulfate
PubChem CID172828652
Molecular FormulaH4Na4O16S4
Molecular Weight480.24 g/mol
Exact Mass479.80
IUPAC Nametetrasodium;sulfuric acid;disulfate
SMILESO=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4Na.4H2O4S/c;;;;4*1-5(2,3)4/h;;;;4*(H2,1,2,3,4)/q4*+1;;;;/p-4
InChIKeyVFJPBDLYEGOQPR-UHFFFAOYSA-J
XLogP-15.97
TPSA309.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.24
LogP ≤ 5-15.97
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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triazanium;sulfuric acid;chloride;sulfate
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Frequently Asked Questions

What is the IUPAC name of tetrasodium;sulfuric acid;disulfate?
The IUPAC name of tetrasodium;sulfuric acid;disulfate (CID 172828652) is tetrasodium;sulfuric acid;disulfate.
What is the SMILES notation for tetrasodium;sulfuric acid;disulfate?
The canonical SMILES for tetrasodium;sulfuric acid;disulfate is O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;sulfuric acid;disulfate?
The InChIKey is VFJPBDLYEGOQPR-UHFFFAOYSA-J. The full InChI is InChI=1S/4Na.4H2O4S/c;;;;4*1-5(2,3)4/h;;;;4*(H2,1,2,3,4)/q4*+1;;;;/p-4.
What are the key properties of tetrasodium;sulfuric acid;disulfate?
tetrasodium;sulfuric acid;disulfate has a molecular weight of 480.24 g/mol, XLogP of -15.97, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;sulfuric acid;disulfate is sourced from PubChem (CID 172828652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).