About (barium(2+));sulfuric acid
(barium(2+));sulfuric acid (PubChem CID 173434226) has the molecular formula H14Ba97O28S7+194
and a molecular weight of 14007.37 g/mol. Its IUPAC name is (barium(2+));sulfuric acid.
Molecular Properties
| Compound Name | (barium(2+));sulfuric acid |
|---|
| PubChem CID | 173434226 |
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| Molecular Formula | H14Ba97O28S7+194 |
|---|
| Molecular Weight | 14007.37 g/mol |
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| Exact Mass | 14062.47 |
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| IUPAC Name | (barium(2+));sulfuric acid |
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| SMILES | O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2] |
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| InChI | InChI=1S/97Ba.7H2O4S/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;7*1-5(2,3)4/h;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;7*(H2,1,2,3,4)/q97*+2;;;;;;; |
|---|
| InChIKey | DKWYKJKEEBZKDS-UHFFFAOYSA-N |
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| XLogP | -41.51 |
|---|
| TPSA | 522.20 Ų |
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| H-Bond Donors | 14 |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 132 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 14007.37 |
| LogP ≤ 5 | -41.51 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 14 |
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Frequently Asked Questions
What is the IUPAC name of (barium(2+));sulfuric acid?
The IUPAC name of (barium(2+));sulfuric acid (CID 173434226) is (barium(2+));sulfuric acid.
What is the SMILES notation for (barium(2+));sulfuric acid?
The canonical SMILES for (barium(2+));sulfuric acid is O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].
What is the InChIKey of (barium(2+));sulfuric acid?
The InChIKey is DKWYKJKEEBZKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/97Ba.7H2O4S/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;7*1-5(2,3)4/h;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;7*(H2,1,2,3,4)/q97*+2;;;;;;;.
What are the key properties of (barium(2+));sulfuric acid?
(barium(2+));sulfuric acid has a molecular weight of 14007.37 g/mol, XLogP of -41.51, 0 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (barium(2+));sulfuric acid is sourced from PubChem (CID 173434226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).