bis(chromium(3+));sulfuric acid;trisulfate

H2Cr2O16S4 — CID 172825382

IUPACbis(chromium(3+));sulfuric acid;trisulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[Cr+3]
InChIInChI=1S/2Cr.4H2O4S/c;;4*1-5(2,3)4/h;;4*(H2,1,2,3,4)/q2*+3;;;;/p-6
InChIKeyUUFFEOLEUBBBTK-UHFFFAOYSA-H
MW490.26 g/mol
LogP-4.67
Rot. Bonds

About bis(chromium(3+));sulfuric acid;trisulfate

bis(chromium(3+));sulfuric acid;trisulfate (PubChem CID 172825382) has the molecular formula H2Cr2O16S4 and a molecular weight of 490.26 g/mol. Its IUPAC name is bis(chromium(3+));sulfuric acid;trisulfate.

Molecular Properties

Compound Namebis(chromium(3+));sulfuric acid;trisulfate
PubChem CID172825382
Molecular FormulaH2Cr2O16S4
Molecular Weight490.26 g/mol
Exact Mass489.70
IUPAC Namebis(chromium(3+));sulfuric acid;trisulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[Cr+3]
InChIInChI=1S/2Cr.4H2O4S/c;;4*1-5(2,3)4/h;;4*(H2,1,2,3,4)/q2*+3;;;;/p-6
InChIKeyUUFFEOLEUBBBTK-UHFFFAOYSA-H
XLogP-4.67
TPSA315.38 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.26
LogP ≤ 5-4.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(chromium(3+));sulfuric acid;trisulfate?
The IUPAC name of bis(chromium(3+));sulfuric acid;trisulfate (CID 172825382) is bis(chromium(3+));sulfuric acid;trisulfate.
What is the SMILES notation for bis(chromium(3+));sulfuric acid;trisulfate?
The canonical SMILES for bis(chromium(3+));sulfuric acid;trisulfate is O=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[Cr+3].
What is the InChIKey of bis(chromium(3+));sulfuric acid;trisulfate?
The InChIKey is UUFFEOLEUBBBTK-UHFFFAOYSA-H. The full InChI is InChI=1S/2Cr.4H2O4S/c;;4*1-5(2,3)4/h;;4*(H2,1,2,3,4)/q2*+3;;;;/p-6.
What are the key properties of bis(chromium(3+));sulfuric acid;trisulfate?
bis(chromium(3+));sulfuric acid;trisulfate has a molecular weight of 490.26 g/mol, XLogP of -4.67, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(3+));sulfuric acid;trisulfate is sourced from PubChem (CID 172825382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).