oxidooxy sulfate

O6S-2 — CID 135037388

IUPACoxidooxy sulfate
SMILESO=S(=O)([O-])OO[O-]
InChIInChI=1S/H2O6S/c1-5-6-7(2,3)4/h1H,(H,2,3,4)/p-2
InChIKeyPAFBXKGNMWJZEX-UHFFFAOYSA-L
MW128.06 g/mol
LogP-2.33
Rot. Bonds2

About oxidooxy sulfate

oxidooxy sulfate (PubChem CID 135037388) has the molecular formula O6S-2 and a molecular weight of 128.06 g/mol. Its IUPAC name is oxidooxy sulfate.

Molecular Properties

Compound Nameoxidooxy sulfate
PubChem CID135037388
Molecular FormulaO6S-2
Molecular Weight128.06 g/mol
Exact Mass127.94
IUPAC Nameoxidooxy sulfate
SMILESO=S(=O)([O-])OO[O-]
InChIInChI=1S/H2O6S/c1-5-6-7(2,3)4/h1H,(H,2,3,4)/p-2
InChIKeyPAFBXKGNMWJZEX-UHFFFAOYSA-L
XLogP-2.33
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.06
LogP ≤ 5-2.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

strontium sulfonatooxy sulfate
CID 21114005
dicalcium sulfonatooxy sulfate
CID 159780487
dipotassium;sulfonatooxy sulfate
CID 516926
bis(rubidium(1+));sulfonatooxy sulfate
CID 18406061
lithium;potassium;sulfonatooxy sulfate
CID 175555490
disodium;azane;sulfonatooxy sulfate
CID 174725660
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
diazanium;sulfonatooxy sulfate;bis(sulfur dioxide)
CID 19430598
disodium;sulfonatooxy sulfate;sulfurous acid
CID 22019774
potassium;sodium;permanganic acid;sulfonatooxy sulfate
CID 175104604
iron(2+);sulfonatooxy sulfate;sulfuric acid;sulfurous acid
CID 173385794
trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate
CID 173499808

Frequently Asked Questions

What is the IUPAC name of oxidooxy sulfate?
The IUPAC name of oxidooxy sulfate (CID 135037388) is oxidooxy sulfate.
What is the SMILES notation for oxidooxy sulfate?
The canonical SMILES for oxidooxy sulfate is O=S(=O)([O-])OO[O-].
What is the InChIKey of oxidooxy sulfate?
The InChIKey is PAFBXKGNMWJZEX-UHFFFAOYSA-L. The full InChI is InChI=1S/H2O6S/c1-5-6-7(2,3)4/h1H,(H,2,3,4)/p-2.
What are the key properties of oxidooxy sulfate?
oxidooxy sulfate has a molecular weight of 128.06 g/mol, XLogP of -2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxidooxy sulfate is sourced from PubChem (CID 135037388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).