sulfuric acid;sulfate;heptahydrate

H16O15S2-2 — CID 22403493

IUPACsulfuric acid;sulfate;heptahydrate
SMILESO.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)([O-])[O-]
InChIInChI=1S/2H2O4S.7H2O/c2*1-5(2,3)4;;;;;;;/h2*(H2,1,2,3,4);7*1H2/p-2
InChIKeyXSXOARNDPREJFB-UHFFFAOYSA-L
MW320.25 g/mol
LogP-7.76
Rot. Bonds

About sulfuric acid;sulfate;heptahydrate

sulfuric acid;sulfate;heptahydrate (PubChem CID 22403493) has the molecular formula H16O15S2-2 and a molecular weight of 320.25 g/mol. Its IUPAC name is sulfuric acid;sulfate;heptahydrate.

Molecular Properties

Compound Namesulfuric acid;sulfate;heptahydrate
PubChem CID22403493
Molecular FormulaH16O15S2-2
Molecular Weight320.25 g/mol
Exact Mass319.99
IUPAC Namesulfuric acid;sulfate;heptahydrate
SMILESO.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)([O-])[O-]
InChIInChI=1S/2H2O4S.7H2O/c2*1-5(2,3)4;;;;;;;/h2*(H2,1,2,3,4);7*1H2/p-2
InChIKeyXSXOARNDPREJFB-UHFFFAOYSA-L
XLogP-7.76
TPSA375.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 5-7.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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CID 172828652
decacalcium;sulfuric acid;decasulfate
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zinc;sulfuric acid;sulfate
CID 160674423
bis(chromium(3+));sulfuric acid;trisulfate
CID 172825382
disulfanium;sulfuric acid;sulfate
CID 172711124
sodium;sulfuric acid;sulfate
CID 19758473
tris(barium(2+));sulfuric acid;trisulfate
CID 173274297
copper;selane;sulfuric acid;sulfate
CID 172751141
triazanium;sulfuric acid;chloride;sulfate
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azane;iron(2+);sulfuric acid;sulfate
CID 57495516

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;sulfate;heptahydrate?
The IUPAC name of sulfuric acid;sulfate;heptahydrate (CID 22403493) is sulfuric acid;sulfate;heptahydrate.
What is the SMILES notation for sulfuric acid;sulfate;heptahydrate?
The canonical SMILES for sulfuric acid;sulfate;heptahydrate is O.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)([O-])[O-].
What is the InChIKey of sulfuric acid;sulfate;heptahydrate?
The InChIKey is XSXOARNDPREJFB-UHFFFAOYSA-L. The full InChI is InChI=1S/2H2O4S.7H2O/c2*1-5(2,3)4;;;;;;;/h2*(H2,1,2,3,4);7*1H2/p-2.
What are the key properties of sulfuric acid;sulfate;heptahydrate?
sulfuric acid;sulfate;heptahydrate has a molecular weight of 320.25 g/mol, XLogP of -7.76, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;sulfate;heptahydrate is sourced from PubChem (CID 22403493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).